SCHEMBL14734249

SCHEMBL14734249

[O-][S+]1CCc2nc(N3CCC(c4ccc(Cl)cc4)CC3)nc(NC3(CO)CCC3)c21

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ MTOR P42345 1/20 0.31
▸ PIK3R1 P27986 3/20 0.31
▸ PIK3CA P42336 3/20 0.31
▸ GRM5 P41594 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ SLC18A3 Q16572 1/20 0.31
▸ CHIT1 Q13231 2/20 0.31
▸ CHIA Q9BZP6 2/20 0.31
▸ SIGMAR1 Q99720 1/20 0.30
▸ DRD2 P14416 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ SYK P43405 1/20 0.30
▸ HTR2A P28223 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL187529 0.96 MMP2 (0.33) MMP2MMP9MMP13MTORGRM5
SCHEMBL8058980 0.88 HTR2A (0.32) PIK3R1PIK3CAHTR2A
SCHEMBL973013 0.88 HTR2A (0.31) HTR2A
SCHEMBL973435 0.88 — —
SCHEMBL12209419 0.88 — —
SCHEMBL12921205 0.88 ALDH1A1 (0.30) —
SCHEMBL12921226 0.88 PDE4D (0.34) MMP2MMP9MMP13MTORSCN9A
Nerandomilast SCHEMBL14734178 0.87 PIK3R1 (0.34) PIK3R1PIK3CA
Nerandomilast SCHEMBL25606332 0.87 PIK3R1 (0.34) PIK3R1PIK3CA
SCHEMBL8053179 0.87 MTOR (0.32) MTOR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140228286-A1 SPECIFIC PDE4B-INHIBITORS FOR THE TREATMENT OF DIABETES MELLITUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-14 — — US claimed
US-11813266-B2 Combination of active agents for the treatment of progressive fibrosing interstitial lung diseases (PF-ILD) BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-11-14 — — US disclosed
US-20230181590-A1 New oral pharmaceutical composition and dose regimen for the therapy of progressive fibrosing interstitial lung diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2023-06-15 — — US disclosed
US-10745411-B2 Piperidino-dihydrothienopyrimidine sulfoxides and their use for treating COPD and asthma BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-08-18 — — US disclosed
US-20200048278-A1 NOVEL PIPERIDINO-DIHYDROTHIENOPYRIMIDINE SULFOXIDES AND THEIR USE FOR TREATING COPD AND ASTHMA BOEHRINGER INGELHEIM INT (DE) 2020-02-13 — — US disclosed
US-20190134043-A1 New Combination of active agents for the treatment of Progressive Fibrosing Interstitial Lung Diseases (PF-ILD) BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-05-09 — — US disclosed
US-20180072754-A1 NOVEL PIPERIDINO-DIHYDROTHIENOPYRIMIDINE SULFOXIDES AND THEIR USE FOR TREATING COPD AND ASTHMA BOEHRINGER INGELHEIM INT (DE) 2018-03-15 — — US disclosed
US-20180072754-A1 NOVEL PIPERIDINO-DIHYDROTHIENOPYRIMIDINE SULFOXIDES AND THEIR USE FOR TREATING COPD AND ASTHMA BOEHRINGER INGELHEIM INT (DE) 2018-03-15 — — US disclosed
US-9802954-B2 Piperidino-dihydrothienopyrimidine sulfoxides and their use for treating COPD and asthma BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-10-31 — — US disclosed
US-9802954-B2 Piperidino-dihydrothienopyrimidine sulfoxides and their use for treating COPD and asthma BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-10-31 — — US disclosed
US-20150045376-A1 NOVEL PIPERIDINO-DIHYDROTHIENOPYRIMIDINE SULFOXIDES AND THEIR USE FOR TREATING COPD AND ASTHMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-12 — — US disclosed
WO-2014124860-A1 SPECIFIC PDE4B-INHIBITORS FOR THE TREATMENT OF DIABETES MELLITUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-21 — — WO disclosed
US-20140228286-A1 SPECIFIC PDE4B-INHIBITORS FOR THE TREATMENT OF DIABETES MELLITUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-14 — — US disclosed
US-20140228286-A1 SPECIFIC PDE4B-INHIBITORS FOR THE TREATMENT OF DIABETES MELLITUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-14 — — US disclosed
US-20140228286-A1 SPECIFIC PDE4B-INHIBITORS FOR THE TREATMENT OF DIABETES MELLITUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-14 — — US disclosed
US-20130079359-A1 NOVEL PIPERIDINO-DIHYDROTHIENOPYRIMIDINE SULFOXIDES AND THEIR USE FOR TREATING COPD AND ASTHMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-03-28 — — US disclosed
US-20130079359-A1 NOVEL PIPERIDINO-DIHYDROTHIENOPYRIMIDINE SULFOXIDES AND THEIR USE FOR TREATING COPD AND ASTHMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-03-28 — — US disclosed
US-20130059866-A1 NOVEL PIPERIDINO-DIHYDROTHIENOPYRIMIDINE SULFOXIDES AND THEIR USE FOR TREATING COPD AND ASTHMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-03-07 — — US disclosed
US-20130059866-A1 NOVEL PIPERIDINO-DIHYDROTHIENOPYRIMIDINE SULFOXIDES AND THEIR USE FOR TREATING COPD AND ASTHMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-03-07 — — US disclosed
WO-2013026797-A1 NOVEL PIPERIDINO-DIHYDROTHIENOPYRIMIDINE SULFOXIDES AND THEIR USE FOR TREATING COPD AND ASTHMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-28 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200048278-A1 NOVEL PIPERIDINO-DIHYDROTHIENOPYRIMIDINE SULFOXIDES AND THEIR USE FOR TREATING COPD AND ASTHMA CBS, CYSLTR1, DHPS MMP2 2398/4885MMP9 2275/4885MMP13 3449/4885
US-11813266-B2 Combination of active agents for the treatment of progressive fibrosing interstitial lung diseases (PF-ILD) PDE3B, PDE4B, PF4 MMP2 406/4885MMP9 208/4885MMP13 600/4885
US-20180072754-A1 NOVEL PIPERIDINO-DIHYDROTHIENOPYRIMIDINE SULFOXIDES AND THEIR USE FOR TREATING COPD AND ASTHMA CBS, CYSLTR1, DHPS MMP2 2398/4885MMP9 2275/4885MMP13 3449/4885
US-10745411-B2 Piperidino-dihydrothienopyrimidine sulfoxides and their use for treating COPD and asthma CBS, DHPS, TPMT MMP2 2437/4885MMP9 2008/4885MMP13 3494/4885
US-20130079359-A1 NOVEL PIPERIDINO-DIHYDROTHIENOPYRIMIDINE SULFOXIDES AND THEIR USE FOR TREATING COPD AND ASTHMA CBS, SQOR, TST MMP2 2656/4885MMP9 2459/4885MMP13 3277/4885
US-20190134043-A1 New Combination of active agents for the treatment of Progressive Fibrosing Interstitial Lung Diseases (PF-ILD) PDE4B, PDE3B, PF4 MMP2 629/4885MMP9 376/4885MMP13 924/4885
US-20140228286-A1 SPECIFIC PDE4B-INHIBITORS FOR THE TREATMENT OF DIABETES MELLITUS PDE4B, PDE3B, PDE4A MMP2 85/4885MMP9 281/4885MMP13 374/4885
US-20230181590-A1 New oral pharmaceutical composition and dose regimen for the therapy of progressive fibrosing interstitial lung diseases PDE3B, PDE4B, PDE3A MMP2 591/4885MMP9 890/4885MMP13 257/4885
US-20130059866-A1 NOVEL PIPERIDINO-DIHYDROTHIENOPYRIMIDINE SULFOXIDES AND THEIR USE FOR TREATING COPD AND ASTHMA CBS, SQOR, TST MMP2 2656/4885MMP9 2459/4885MMP13 3277/4885
US-20150045376-A1 NOVEL PIPERIDINO-DIHYDROTHIENOPYRIMIDINE SULFOXIDES AND THEIR USE FOR TREATING COPD AND ASTHMA CBS, CYSLTR1, DHPS MMP2 2398/4885MMP9 2275/4885MMP13 3449/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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