SCHEMBL20140167

SCHEMBL20140167

O=C(O)c1ccn(Cc2ccc3c(n2)NCCC3)n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.46
ITGAV P06756 17/20 0.46
ITGA2B P08514 1/20 0.43
CXCR4 P61073 3/20 0.43
ITGB5 P18084 5/20 0.43
ITGB6 P18564 2/20 0.41
ITGB8 P26012 1/20 0.41
ITGB1 P05556 1/20 0.41

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
SCHEMBL20139143 0.89 ITGB3 (0.49) ITGB3ITGAVITGA2BCXCR4ITGB5
SCHEMBL20156048 0.78 ITGAV (0.45) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL21281667 0.77 CXCR4 (0.48) ITGB3ITGAVCXCR4ITGB5ITGB6
SCHEMBL14610720 0.75 ITGB3 (0.46) ITGB3ITGAVITGA2BCXCR4ITGB5
SCHEMBL860427 0.74 ITGB3 (0.58) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL20139711 0.74 ITGB3 (0.48) ITGB3ITGAVITGA2BCXCR4ITGB5
SCHEMBL21281634 0.74 ITGB3 (0.48) ITGB3ITGAVITGA2BCXCR4ITGB5
SCHEMBL21281724 0.73 ITGAV (0.47) ITGB3ITGAVITGA2BCXCR4ITGB6
SCHEMBL20153399 0.73 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL760607 0.72 ITGB3 (0.69) ITGB3ITGAVITGA2BITGB5ITGB6

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
CN-110167933-B As αVAzole amides and amines as integrin inhibitors 百时美施贵宝公司 2022-06-21 CN disclosed
EP-3538527-B1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
US-10851098-B2 Azole amides and amines as alpha v integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-01 US disclosed
EP-3538527-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS Bristol-Myers Squibb Company (US) 2019-09-18 EP disclosed
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 US disclosed
WO-2018089358-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 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-10851098-B2 Azole amides and amines as alpha v integrin inhibitors ITGAV, ITGB1, ITGA1 ITGB3 11/4885ITGAV 1/4885ITGA2B 12/4885
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB1, ITGA1 ITGB3 11/4885ITGAV 1/4885ITGA2B 12/4885

“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.