SCHEMBL6093371

SCHEMBL6093371

O=C(O)CC(Nc1ccc2c(c1)OCC(=O)N2CCNc1ncc[nH]1)c1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ITGB3 P05106 10/20 0.35
▸ ITGAV P06756 7/20 0.35
▸ ITGA2B P08514 3/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ SUCNR1 Q9BXA5 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ KMO O15229 1/20 0.33

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
SCHEMBL6098740 0.95 ALDH1A1 (0.36) ALDH1A1CYP1A2POLBCYP3A4CYP2D6
SCHEMBL6094759 0.95 ALDH1A1 (0.35) ALDH1A1CYP1A2POLBCYP3A4CYP2D6
SCHEMBL6094637 0.93 ITGB3 (0.41) ALDH1A1POLBITGB3ITGAVITGA2B
SCHEMBL6095601 0.88 ITGB3 (0.40) ALDH1A1POLBITGB3ITGAVITGA2B
SCHEMBL6095143 0.88 ITGB3 (0.39) ALDH1A1POLBITGB3ITGAVITGA2B
SCHEMBL6098962 0.87 ALDH1A1 (0.36) ALDH1A1CYP1A2POLBCYP3A4CYP2D6
SCHEMBL6096904 0.87 ITGB3 (0.37) CYP3A4CYP2C9CYP2C19ITGB3ITGAV
SCHEMBL6096530 0.86 ITGB3 (0.43) ALDH1A1CYP1A2POLBCYP3A4CYP2D6
SCHEMBL6094087 0.84 ITGB3 (0.37) ITGB3ITGAVITGA2BCYP11B1CYP11B2
SCHEMBL6096545 0.84 ITGB3 (0.36) ITGB3ITGAVITGA2BCYP11B1CYP11B2

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 ALDH1A1 620/4885CYP1A2 1714/4885POLB 4763/4885
US-20030073688-A1 Novel substituted benzoxazines as integrin antagonists ITGB1, ITGA1, ITGB3 ALDH1A1 620/4885CYP1A2 1714/4885POLB 4763/4885

“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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