SCHEMBL20139124

SCHEMBL20139124

O=C(O)c1cn(CCc2ccc3c(n2)NCCC3)cn1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 19/20 0.48
ITGB3 P05106 18/20 0.48
ITGB6 P18564 7/20 0.46
ITGB5 P18084 6/20 0.46
ITGA2B P08514 2/20 0.46
ITGB1 P05556 1/20 0.46
CXCR4 P61073 1/20 0.45

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
SCHEMBL20156303 0.88 CXCR4 (0.47) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL21281688 0.83 ITGAV (0.46) ITGAVITGB3ITGB6ITGA2BITGB1
SCHEMBL20139711 0.80 ITGB3 (0.48) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL20139143 0.79 ITGB3 (0.49) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL21272485 0.79 ITGB3 (0.65) ITGAVITGB3ITGB6ITGB5
SCHEMBL21272488 0.79 ITGB3 (0.65) ITGAVITGB3ITGB6ITGB5
SCHEMBL21281634 0.78 ITGB3 (0.48) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL20139077 0.78 ITGB3 (0.48) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL20139120 0.76 ITGAV (0.48) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL20139376 0.76 ITGB3 (0.50) ITGAVITGB3ITGB6ITGB5ITGA2B

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 11/4885ITGB6 17/4885
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB1, ITGA1 ITGAV 1/4885ITGB3 11/4885ITGB6 17/4885

“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.