SCHEMBL5857571

SCHEMBL5857571

N#CCCCc1ccc2cccnc2n1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SUCNR1 Q9BXA5 16/20 0.46
OXGR1 Q96P68 3/20 0.44
PDE10A Q9Y233 2/20 0.43

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
SCHEMBL29797374 0.86 SUCNR1 (0.45) SUCNR1OXGR1PDE10A
SCHEMBL20153361 0.86 SUCNR1 (0.45) SUCNR1OXGR1PDE10A
SCHEMBL276117 0.79 SUCNR1 (0.50) SUCNR1OXGR1PDE10A
SCHEMBL6129289 0.79 KCNH2 (0.55) L3MBTL1SUCNR1OXGR1PDE10A
SCHEMBL6899530 0.79 SUCNR1 (0.47) SUCNR1OXGR1PDE10A
SCHEMBL20517681 0.78 SUCNR1 (0.49) SUCNR1OXGR1PDE10A
SCHEMBL12895009 0.76 PDE10A (0.49) SUCNR1OXGR1PDE10A
SCHEMBL30930276 0.76 SUCNR1 (0.50) SUCNR1OXGR1PDE10A
SCHEMBL20481012 0.75 SUCNR1 (0.47) SUCNR1OXGR1PDE10A
SCHEMBL23083184 0.75 PDE10A (0.49) SUCNR1OXGR1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119098-B2 Heteroarylakanoic acids as intergrin receptor antagonists PHARMACIA CORPORATION (US) 2006-10-10 US disclosed
US-6933304-B2 Heteroarylalkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION (US) 2005-08-23 US disclosed
WO-2004058254-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2004-07-15 WO disclosed
US-20040092497-A1 Heteroarylakanoic acids as intergrin receptor antagonists PHARMACIA CORPORATION 2004-05-13 US disclosed
US-20020133023-A1 Heteroarylalkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION 2002-09-19 US disclosed
US-6268378-B1 TREATING AND PREVENTING OSTEOPOROSIS, AND INHIBITING VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, ATHEROSCLEROSIS, INFLAMMATION, VIRAL DISEASE, AND TUMOR GROWTH. MERCK & CO., INC. 2001-07-31 US 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-20020133023-A1 Heteroarylalkanoic acids as integrin receptor antagonists ITGA5, ITGA2B, ITGAV ATM 4717/4885L3MBTL1 3816/4885SUCNR1 622/4885
US-20040092497-A1 Heteroarylakanoic acids as intergrin receptor antagonists ITGA5, ITGB7, ITGA2B ATM 4479/4885L3MBTL1 4617/4885SUCNR1 337/4885

“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.