SCHEMBL187438

SCHEMBL187438

CC(C)[C@H](CO)Nc1nc(N2CCC(c3nc(-c4ccncc4)no3)CC2)nc2c1[S+]([O-])CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 9/20 0.44
▸ LMNA P02545 5/20 0.44
▸ TSHR P16473 3/20 0.44
▸ GAA P10253 4/20 0.39
▸ HTT P42858 4/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7712510 1.00 SMN1; SMN2 (0.44) SMN1; SMN2LMNATSHRGAAHTT
Trifluoroacetic Acid SCHEMBL975654 0.94 SMN1; SMN2 (0.43) SMN1; SMN2LMNATSHRGAAHTT
SCHEMBL12921313 0.93 TUBB4A (0.40) SMN1; SMN2LMNATSHRGAAHTT
SCHEMBL8054262 0.91 PPARA (0.42) SMN1; SMN2LMNATSHRGAAHTT
SCHEMBL975655 0.88 SMN1; SMN2 (0.42) SMN1; SMN2LMNATSHRGAAHTT
SCHEMBL10266952 0.86 CCR5 (0.32) EPHX2
SCHEMBL373806 0.86 TP53 (0.32) SMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL17180853 0.85 SMN1; SMN2 (0.46) SMN1; SMN2LMNATSHRGAAHTT
SCHEMBL8060081 0.85 GPR119 (0.36) CNR2CYP3A4CYP2C19EPHX2KCNH2
SCHEMBL8054741 0.83 CNR2 (0.40) SMN1; SMN2LMNATSHRGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2400962-B1 Medicinal combinations containing PDE4 inhibitors and NSAIDS BOEHRINGER INGELHEIM INT (DE) 2017-11-08 — — EP claimed
EP-2555774-B1 Medicine combinations containing pde4 inhibitors and ep4 receptor antagonists BOEHRINGER INGELHEIM INT (DE) 2015-10-21 — — EP claimed
US-9161927-B2 Drug combinations containing PDE4 inhibitors and NSAIDs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-20 — — US claimed
US-20140350035-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4-INHIBITORS AND EP4-RECEPTOR- ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-27 — — US claimed
US-20140228286-A1 SPECIFIC PDE4B-INHIBITORS FOR THE TREATMENT OF DIABETES MELLITUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-14 — — US claimed
US-20130225609-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4-INHIBITORS AND EP4-RECEPTOR-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-29 — — US claimed
US-20120035143-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 — — US claimed
EP-2400962-B1 Medicinal combinations containing PDE4 inhibitors and NSAIDS BOEHRINGER INGELHEIM INT (DE) 2017-11-08 — — EP disclosed
EP-2555774-B1 Medicine combinations containing pde4 inhibitors and ep4 receptor antagonists BOEHRINGER INGELHEIM INT (DE) 2015-10-21 — — EP disclosed
US-9161927-B2 Drug combinations containing PDE4 inhibitors and NSAIDs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-20 — — US disclosed
US-9161927-B2 Drug combinations containing PDE4 inhibitors and NSAIDs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-20 — — US disclosed
US-9161927-B2 Drug combinations containing PDE4 inhibitors and NSAIDs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-20 — — US disclosed
US-20140350035-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4-INHIBITORS AND EP4-RECEPTOR- ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-27 — — US disclosed
US-20120035143-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 — — US disclosed
EP-2400962-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS Boehringer Ingelheim International GmbH (DE) 2012-01-04 — — EP disclosed
EP-2380891-A1 Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-26 — — EP disclosed
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 — — US disclosed
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 — — US disclosed
WO-2010097334-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 — — WO disclosed
WO-2009050248-A1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 — — 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 (5 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-20140350035-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4-INHIBITORS AND EP4-RECEPTOR- ANTAGONISTS PTGER4, PTGER1, PDE4A SMN1; SMN2 4444/4885LMNA 4688/4885TSHR 1037/4885
US-20130225609-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4-INHIBITORS AND EP4-RECEPTOR-ANTAGONISTS PTGER4, PTGER1, PDE4A SMN1; SMN2 4444/4885LMNA 4688/4885TSHR 1037/4885
US-20120035143-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS PDE4A, PDE12, PDE3B SMN1; SMN2 2246/4885LMNA 4610/4885TSHR 2622/4885
US-20140228286-A1 SPECIFIC PDE4B-INHIBITORS FOR THE TREATMENT OF DIABETES MELLITUS PDE4B, PDE3B, PDE4A SMN1; SMN2 2294/4885LMNA 3583/4885TSHR 1817/4885
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES DPYD, P2RX1, P2RX5 SMN1; SMN2 338/4885LMNA 4790/4885TSHR 1555/4885

“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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