SCHEMBL21282944

SCHEMBL21282944

COCCOC(=O)CC(c1cncc(CNC(=O)OC)c1)n1ncc2cc(OCCc3ccc4c(n3)NCCC4)ccc21

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.55
ITGAV P06756 20/20 0.55
ITGB5 P18084 3/20 0.51

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
SCHEMBL21282945 0.96 ITGB3 (0.57) ITGB3ITGAVITGB5
SCHEMBL29744197 0.93 ITGB3 (0.64) ITGB3ITGAVITGB5
SCHEMBL20139279 0.93 ITGB3 (0.64) ITGB3ITGAVITGB5
SCHEMBL20139278 0.93 ITGB3 (0.64) ITGB3ITGAVITGB5
SCHEMBL29744119 0.93 ITGB3 (0.64) ITGB3ITGAVITGB5
SCHEMBL20139766 0.93 ITGB3 (0.64) ITGB3ITGAVITGB5
SCHEMBL29744070 0.93 ITGB3 (0.64) ITGB3ITGAVITGB5
SCHEMBL20153818 0.90 ITGB3 (0.51) ITGB3ITGAVITGB5
SCHEMBL21282943 0.89 ITGB3 (0.59) ITGB3ITGAVITGB5
SCHEMBL20141067 0.88 ITGB3 (0.63) ITGB3ITGAVITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-08 US disclosed
US-20200339540-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-10-29 US disclosed
US-10745384-B2 Indazole derivatives as αv integrin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-18 US disclosed
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 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 (4 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-20200339540-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 ITGB3 3/4885ITGAV 1/4885ITGB5 4/4885
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 ITGB3 3/4885ITGAV 1/4885ITGB5 4/4885
US-10745384-B2 Indazole derivatives as αv integrin antagonists ITGB3, ITGB1, ITGAV ITGB3 1/4885ITGAV 3/4885ITGB5 5/4885
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists ITGAV, ITGB1, ITGB3 ITGB3 3/4885ITGAV 1/4885ITGB5 4/4885

“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.