SCHEMBL2916952

SCHEMBL2916952

CCCNc1nc(N2CCN(c3ccccc3)CC2)nc2c1SCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE11A Q9HCR9 3/20 0.42
▸ MAPT P10636 4/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ PDE2A O00408 2/20 0.41
▸ PDE1B Q01064 1/20 0.41
▸ HTT P42858 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HRH4 Q9H3N8 2/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE6C P51160 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL3948726 0.89 CETP (0.45) KMT2AALDH1A1MEN1TSHRHRH4
SCHEMBL2911656 0.89 MEN1 (0.34) PDE11AMAPTKMT2AALDH1A1HSD17B10
SCHEMBL2922786 0.89 HTT (0.36) PDE11AMAPTKMT2AALDH1A1HSD17B10
SCHEMBL2920928 0.89 ESR1 (0.36) PDE11AMAPTKMT2AALDH1A1HSD17B10
SCHEMBL3027474 0.86 CHRNA10 (0.37) PDE11AKMT2AALDH1A1MEN1TSHR
SCHEMBL2923250 0.86 KMT2A (0.41) PDE11AMAPTKMT2AALDH1A1HSD17B10
SCHEMBL13177100 0.86 PDE11A (0.41) PDE11AMAPTKMT2AALDH1A1HSD17B10
SCHEMBL13212462 0.86 PDE11A (0.37) PDE11AMAPTKMT2AALDH1A1HSD17B10
SCHEMBL3022088 0.85 MAPT (0.41) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL27705246 0.85 PDE11A (0.38) PDE11AMAPTKMT2AALDH1A1HSD17B10

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354531-B2 Compounds for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 — — US disclosed
EP-1874781-B9 DIHYDROTHIENOPYRIMIDINES FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2010-09-08 — — EP disclosed
US-20100197656-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 — — US disclosed
US-7723341-B2 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2010-05-25 — — US disclosed
US-20090186875-A1 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-23 — — US disclosed
EP-1874781-B1 DIHYDROTHIENOPYRIMIDINES FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2009-06-24 — — EP disclosed
EP-2060575-A1 Dihydrothienopyrimidines and their use in treating inflammatory diseases Boehringer Ingelheim International GmbH (DE) 2009-05-20 — — EP disclosed
US-7511045-B2 Dihydrothienopyrimidines; gastrointestinal disorders; cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 — — US disclosed
US-7511045-B2 Dihydrothienopyrimidines; gastrointestinal disorders; cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 — — US disclosed
US-7511045-B2 Dihydrothienopyrimidines; gastrointestinal disorders; cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 — — US disclosed
EP-1874781-A1 DIHYDROTHIENOPYRIMIDINES FOR THE TREATMENT OF INFLAMMATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2008-01-09 — — EP disclosed
US-20070259846-A1 Dihydrothienopyrimidines; gastrointestinal disorders; cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 — — US disclosed
US-20070259846-A1 Dihydrothienopyrimidines; gastrointestinal disorders; cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 — — US disclosed
US-20070259846-A1 Dihydrothienopyrimidines; gastrointestinal disorders; cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 — — US disclosed
WO-2006111549-A1 DIHYDROTHIENOPYRIMIDINES FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-26 — — 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 (3 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-20090186875-A1 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer DPYD, DHODH, FH PDE11A 3169/4885MAPT 1441/4885KMT2A 4426/4885
US-20100197656-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES TPMT, MALT1, IL1B PDE11A 3288/4885MAPT 1505/4885KMT2A 4617/4885
US-20070259846-A1 Dihydrothienopyrimidines; gastrointestinal disorders; cancer DPYD, DHODH, DPM1 PDE11A 2984/4885MAPT 1629/4885KMT2A 4444/4885

“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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