SCHEMBL516213

SCHEMBL516213

[O-][S+]1CCc2nc(N3CCN(c4ccncc4)CC3)nc(NC3(CO)CC3)c21

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 6/20 0.33
▸ ITGA2B P08514 6/20 0.33
▸ LATS1 O95835 3/20 0.33
▸ LATS2 Q9NRM7 2/20 0.33
▸ HIF1A Q16665 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ PIK3CA P42336 2/20 0.30
▸ PIK3R1 P27986 1/20 0.30
▸ PIK3CD O00329 1/20 0.30
▸ PIK3CB P42338 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
Trifluoroacetic Acid SCHEMBL15808520 0.92 SLC2A1 (0.36) ITGB3ITGA2BHIF1ACYP3A4CYP2D6
SCHEMBL8063975 0.91 MAPT (0.38) HIF1ATSHR
SCHEMBL589658 0.89 HTR2A (0.32) PIK3CAPIK3R1
SCHEMBL590295 0.89 CETP (0.35) —
SCHEMBL195555 0.88 SORD (0.40) —
SCHEMBL8053179 0.87 MTOR (0.32) LATS1LATS2
SCHEMBL588844 0.86 CETP (0.34) PIK3CAPIK3R1
SCHEMBL8035453 0.85 MAPT (0.35) —
SCHEMBL15808522 0.84 HIF1A (0.35) ITGB3ITGA2BHIF1ACYP3A4CYP2D6
SCHEMBL8036900 0.84 PTPN11 (0.34) PIK3CAPIK3R1PIK3CDPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2400961-B1 MEDICINE COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INT (DE) 2017-11-22 — — EP claimed
US-8877758-B2 Combinations of medicaments, containing PDE4-inhibitors and EP4-receptor-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 — — US claimed
US-8759326-B2 Drug combinations containing PDE4 inhibitors and NSAIDs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 — — US claimed
US-20140031343-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-30 — — US claimed
US-8592400-B2 Drug combinations containing PDE4 inhibitors and NSAIDs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-26 — — US claimed
US-20130237527-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4-INHIBITORS AND EP4-RECEPTOR-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-12 — — US claimed
US-20120028932-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 — — US claimed
EP-2400961-B1 MEDICINE COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INT (DE) 2017-11-22 — — EP disclosed
EP-2400961-B1 MEDICINE COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INT (DE) 2017-11-22 — — EP disclosed
EP-2205609-B1 HETEROCYCLE SUBSTITUTED PIPERAZINO DIHYDROTHIENO PYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2017-03-29 — — EP disclosed
US-9115142-B2 Heterocycle-substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-25 — — US disclosed
US-9115142-B2 Heterocycle-substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-25 — — US disclosed
US-8877758-B2 Combinations of medicaments, containing PDE4-inhibitors and EP4-receptor-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 — — US disclosed
US-20120028932-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 — — US disclosed
US-20120028932-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 — — US disclosed
US-20120028932-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 — — US disclosed
WO-2011124524-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4 INHIBITORS AND EP4 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-13 — — WO disclosed
US-20100305102-A1 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-02 — — US disclosed
US-20100305102-A1 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-02 — — US disclosed
WO-2009050242-A2 HETEROCYCLE-SUBSTITUTED PIPERAZINO-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 (4 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-20140031343-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS PTGER4, PDE4A, PDE12 ITGB3 3352/4885ITGA2B 4257/4885LATS1 3245/4885
US-20100305102-A1 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES SULT2A1, DPYD, HRH2 ITGB3 4390/4885ITGA2B 4491/4885LATS1 1263/4885
US-20130237527-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4-INHIBITORS AND EP4-RECEPTOR-ANTAGONISTS PTGER4, PTGER1, PTGER3 ITGB3 2678/4885ITGA2B 3968/4885LATS1 4272/4885
US-20120028932-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS PTGER4, PDE4A, PDE3B ITGB3 3566/4885ITGA2B 4209/4885LATS1 3963/4885

“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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