SCHEMBL6853887

SCHEMBL6853887

O=C(O)CC1CN(c2ccccc2)c2cc(C(=O)NCCNc3ncc[nH]3)ccc2O1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.51
ITGAV P06756 16/20 0.51
ITGA2B P08514 14/20 0.51
NAMPT P43490 1/20 0.37
ROCK2 O75116 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KLF5 Q13887 1/20 0.35
HTR1A P08908 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
SCHEMBL6859265 0.95 ITGB3 (0.46) ITGB3ITGAVITGA2BNAMPTHTR1A
SCHEMBL6854032 0.95 ITGB3 (0.46) ITGB3ITGAVITGA2BNAMPTHTR1A
SCHEMBL6859241 0.85 ITGB3 (0.50) ITGB3ITGAVITGA2BROCK2NPC1
SCHEMBL6853671 0.83 RORC (0.36) ITGB3ITGAVITGA2BNPC1RAB9A
SCHEMBL6860516 0.81 MAPT (0.37) ITGB3ITGAVITGA2BNPC1RAB9A
SCHEMBL6860247 0.81 MAPT (0.36) ITGB3ITGAVITGA2BNPC1RAB9A
SCHEMBL7705314 0.81 ITGB3 (0.45) ITGB3ITGAVITGA2BNPC1RAB9A
SCHEMBL6853814 0.81 ITGB3 (0.45) ITGB3ITGAVITGA2BNPC1RAB9A
SCHEMBL6859209 0.81 ITGB3 (0.45) ITGB3ITGAVITGA2BNPC1RAB9A
SCHEMBL7711502 0.73 ITGB3 (0.41) ITGB3ITGAVITGA2BHTR1A

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-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US claimed
US-20030069236-A1 New benzoxazine derivatives useful as integrin receptor antagonists PHARMACIA & UPJOHN S.P.A. (IT) 2003-04-10 US claimed
US-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US disclosed
US-20030069236-A1 New benzoxazine derivatives useful as integrin receptor antagonists PHARMACIA & UPJOHN S.P.A. (IT) 2003-04-10 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 (1 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-20030069236-A1 New benzoxazine derivatives useful as integrin receptor antagonists ITGB1, ITGA1, ITGB3 ITGB3 3/4885ITGAV 15/4885ITGA2B 9/4885

“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.