SCHEMBL6096530

SCHEMBL6096530

O=C(O)CC(Nc1ccc2c(c1)OCC(=O)N2CCNc1ccccn1)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 7/20 0.43
▸ ITGAV P06756 7/20 0.43
▸ ITGB6 P18564 2/20 0.43
▸ ITGB1 P05556 1/20 0.43
▸ KMO O15229 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ITGA5 P08648 1/20 0.37
▸ ITGB8 P26012 1/20 0.37
▸ ROCK2 O75116 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TEAD4 Q15561 1/20 0.36
▸ CYP11B1 P15538 1/20 0.35

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
SCHEMBL6095422 0.95 ITGB3 (0.47) ITGB3ITGAVITGB6ITGB1KMO
SCHEMBL6096965 0.95 ITGB3 (0.45) ITGB3ITGAVITGB6ITGB1KMO
SCHEMBL6096239 0.94 ITGB3 (0.43) ITGB3ITGAVITGB6ITGB1KMO
SCHEMBL6097098 0.89 ITGB3 (0.46) ITGB3ITGAVITGB6ITGB1KMO
SCHEMBL6098574 0.88 ITGB3 (0.47) ITGB3ITGAVITGB6ITGB1KMO
SCHEMBL6096536 0.87 ALDH1A1 (0.37) ITGB3ITGAVITGB6ITGB1KMO
SCHEMBL6093371 0.86 ALDH1A1 (0.36) ITGB3ITGAVKMOALDH1A1CYP1A2
SCHEMBL6096921 0.86 ITGB3 (0.43) ITGB3ITGAVITGB6ITGB1CYP3A4
SCHEMBL6097097 0.83 ITGB3 (0.47) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6095430 0.82 ITGB3 (0.41) ITGB3ITGAVITGB6ITGB1KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040224948-A1 Novel substituted benzoxazines as integrin antagonists PHARMACIA & UPJOHN S.P.A. (IT) 2004-11-11 — — US claimed
US-6750215-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-06-15 — — US claimed
US-20030073688-A1 Novel substituted benzoxazines as integrin antagonists POLSTER, RACHEL A. 2003-04-17 — — US claimed
US-7101876-B2 Substituted benzoxazines as integrin antagonists PHARMACIA CORPORATION (US) 2006-09-05 — — US disclosed
US-20040224948-A1 Novel substituted benzoxazines as integrin antagonists PHARMACIA & UPJOHN S.P.A. (IT) 2004-11-11 — — US disclosed
US-6750215-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-06-15 — — US disclosed
US-20030073688-A1 Novel substituted benzoxazines as integrin antagonists POLSTER, RACHEL A. 2003-04-17 — — 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 (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-20040224948-A1 Novel substituted benzoxazines as integrin antagonists ITGB1, ITGA1, ITGB3 ITGB3 3/4885ITGAV 14/4885ITGB6 16/4885
US-20030073688-A1 Novel substituted benzoxazines as integrin antagonists ITGB1, ITGA1, ITGB3 ITGB3 3/4885ITGAV 14/4885ITGB6 16/4885

“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.

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