SCHEMBL20139424

SCHEMBL20139424

O=C(O)c1cnn(CCCc2ccc3c(n2)NCCC3)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.52
ITGB3 P05106 17/20 0.52
ITGA2B P08514 2/20 0.48
ITGB6 P18564 5/20 0.47
ITGB5 P18084 3/20 0.47
ITGB8 P26012 2/20 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
SCHEMBL20139120 0.94 ITGAV (0.48) ITGAVITGB3ITGA2BITGB6ITGB5
SCHEMBL20156048 0.87 ITGAV (0.45) ITGAVITGB3ITGA2BITGB6ITGB5
SCHEMBL20156290 0.86 ITGAV (0.46) ITGAVITGB3ITGA2BITGB6ITGB5
SCHEMBL21281687 0.86 ITGAV (0.64) ITGAVITGB3ITGA2BITGB6ITGB5
SCHEMBL21281673 0.85 ITGAV (0.53) ITGAVITGB3ITGA2BITGB6ITGB5
SCHEMBL29860304 0.85 ITGB3 (0.56) ITGAVITGB3ITGA2BITGB6ITGB5
SCHEMBL20156057 0.83 ITGAV (0.46) ITGAVITGB3ITGA2BITGB6ITGB5
SCHEMBL20139121 0.80 ITGAV (0.45) ITGAVITGB3ITGA2BITGB6ITGB5
SCHEMBL21281693 0.80 ITGAV (0.60) ITGAVITGB3ITGA2BITGB6ITGB5
SCHEMBL29856714 0.80 ITGAV (0.60) ITGAVITGB3ITGA2BITGB6ITGB5

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
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
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
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
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
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 ITGAV 1/4885ITGB3 11/4885ITGA2B 12/4885
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB1, ITGA1 ITGAV 1/4885ITGB3 11/4885ITGA2B 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.