SCHEMBL4586871

SCHEMBL4586871

Cc1nccn1-c1ccc(N2CC(CNC(=O)c3ccc4onc(N)c4c3)CC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 16/20 0.47
▸ F2 P00734 13/20 0.47
▸ ROCK2 O75116 1/20 0.37
▸ MAPK14 Q16539 2/20 0.37
▸ ITGB3 P05106 1/20 0.35
▸ ITGB1 P05556 1/20 0.35
▸ ITGAV P06756 1/20 0.35
▸ ITGA2B P08514 1/20 0.35
▸ ITGA5 P08648 1/20 0.35
▸ ITGB5 P18084 1/20 0.35
▸ F9 P00740 2/20 0.35
▸ CTRB1 P17538 2/20 0.35
▸ F5 P12259 1/20 0.35
▸ PROC P04070 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
SCHEMBL5640850 0.90 F10 (0.47) F10F2F9CTRB1F5
SCHEMBL5641200 0.89 F10 (0.51) F10F2F9CTRB1F5
SCHEMBL5640023 0.83 F10 (0.49) F10F2F9CTRB1F5
SCHEMBL5640412 0.83 F10 (0.45) F10F2F9CTRB1F5
SCHEMBL5641410 0.82 F10 (0.52) F10F2F9CTRB1F5
SCHEMBL4587542 0.82 F10 (0.48) F10
SCHEMBL5642257 0.81 F10 (0.51) F10F2F9CTRB1F5
SCHEMBL4593819 0.81 F10 (0.47) F10F2F9CTRB1F5
SCHEMBL5641927 0.80 F10 (0.34) F10MAPK14ITGB3ITGB1ITGAV
SCHEMBL5643265 0.80 F10 (0.43) F10F2MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667647-A4 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-10-22 — — EP disclosed
US-7199149-B2 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-04-03 — — US disclosed
EP-1667647-A2 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2006-06-14 — — EP disclosed
US-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMANY 2005-05-19 — — US disclosed
WO-2005032468-A2 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 — — 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 (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-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors F2, F12, SPINT2 F10 18/4885F2 1/4885ROCK2 4612/4885

“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.

Send feedback