SCHEMBL5847757

SCHEMBL5847757

CN1CCNc2nc(CCCC#N)ccc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 11/20 0.42
ITGB3 P05106 10/20 0.42
ITGB1 P05556 2/20 0.42
ITGA5 P08648 2/20 0.42
ITGB6 P18564 5/20 0.38
ITGB5 P18084 3/20 0.38
ITGA2B P08514 2/20 0.38
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ITGB8 P26012 2/20 0.33
KCNJ1 P48048 1/20 0.31
KCNH2 Q12809 1/20 0.31
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL12807021 0.83 ITGAV (0.42) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL6221119 0.80 ITGB3 (0.41) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL6219556 0.80 ITGB3 (0.43) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL8313372 0.78 ITGB3 (0.41) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL6260649 0.76 ITGAV (0.40) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL8333617 0.76 ITGAV (0.40) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL6260652 0.76 ITGAV (0.40) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL5848885 0.72 ITGAV (0.52) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL6266843 0.72 ATM (0.35) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL31063405 0.72 ITGAV (0.38) ITGAVITGB3ITGB1ITGA5ITGB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115596-B2 Thiazole compounds as integrin receptor antagonists derivatives PHARMACIA CORPORATION (US) 2006-10-03 US disclosed
EP-1592421-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS Pharmacia Corporation (US) 2005-11-09 EP disclosed
EP-1572690-A1 THIAZOLE COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES Pharmacia Corporation (US) 2005-09-14 EP disclosed
US-20050043344-A1 Heteroarylalkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2005-02-24 US disclosed
US-20050004189-A1 Thiazole compounds as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2005-01-06 US disclosed
WO-2004058760-A1 THIAZOLE COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES PHARMACIA CORPORATION (US) 2004-07-15 WO disclosed
WO-2004058760-A1 THIAZOLE COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES PHARMACIA CORPORATION (US) 2004-07-15 WO disclosed
WO-2004058254-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2004-07-15 WO disclosed
WO-2004058254-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2004-07-15 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-20050043344-A1 Heteroarylalkanoic acids as integrin receptor antagonists derivatives ITGA5, ITGAV, ITGA6 ITGAV 2/4885ITGB3 6/4885ITGB1 11/4885
US-20050004189-A1 Thiazole compounds as integrin receptor antagonists derivatives ITGA5, ITGB5, ITGAL ITGAV 5/4885ITGB3 4/4885ITGB1 6/4885

“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.