SCHEMBL5951657

SCHEMBL5951657

Cc1cc(-c2nc3ccc(C4=NNC(=O)CC4C)cc3[nH]2)nn1C

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 9/20 0.64
PDE3A Q14432 9/20 0.64
ABCB11 O95342 1/20 0.64
MAOA P21397 1/20 0.64
ADORA2A P29274 1/20 0.64
F10 P00742 1/20 0.61
PDE4A P27815 3/20 0.48
PDE4B Q07343 3/20 0.48
PDE4C Q08493 3/20 0.48
PDE4D Q08499 3/20 0.48
GPR119 Q8TDV5 9/20 0.46

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
SCHEMBL5952845 0.87 PDE3B (0.66) PDE3BPDE3AABCB11MAOAADORA2A
Meribendan SCHEMBL892301 0.82 PDE3B (0.70) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL10463603 0.82 PDE3B (0.68) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL10769323 0.81 PDE3B (0.72) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL9516148 0.81 PDE3B (0.67) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL16157203 0.81 PDE3B (0.67) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL9781456 0.80 PDE3B (0.77) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL8264681 0.80 PDE3B (0.77) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL10922011 0.80 PDE3B (0.66) PDE3BPDE3AABCB11MAOAADORA2A
Hydrochloric Acid SCHEMBL9781446 0.80 PDE3B (0.66) PDE3BPDE3AABCB11MAOAADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US claimed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP claimed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US claimed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO claimed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 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 (2 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 PDE3B 217/4885PDE3A 261/4885ABCB11 598/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A PDE3B 323/4885PDE3A 328/4885ABCB11 266/4885

“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.