SCHEMBL4804444

SCHEMBL4804444

CCn1cc(Cc2ccc(C(=O)NCc3ccncc3)cc2-c2ccc(OC)cc2C(=O)O)c2ccc(C(=N)N)cc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.44
F10 P00742 3/20 0.43
F2 P00734 2/20 0.43
F7 P08709 2/20 0.43
F3 P13726 2/20 0.43
PLG P00747 1/20 0.43
PIK3CA P42336 1/20 0.38
MMP13 P45452 2/20 0.37
LMNA P02545 2/20 0.37
PDE10A Q9Y233 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGER4 P35408 1/20 0.36

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
SCHEMBL4816001 0.94 F10 (0.45) ROCK2F10F2F7F3
SCHEMBL4809436 0.92 F10 (0.44) ROCK2F10F2F7F3
SCHEMBL4811035 0.92 ROCK2 (0.47) ROCK2F10F2F7F3
SCHEMBL4807591 0.91 PIK3CA (0.39) ROCK2F10F2F7F3
SCHEMBL4813419 0.90 F2 (0.43) ROCK2F10F2F7F3
SCHEMBL6398608 0.90 F2 (0.47) F10F2F7F3PLG
SCHEMBL4813031 0.89 F2 (0.46) F10F2F7F3PLG
SCHEMBL6394085 0.89 F2 (0.46) F10F2F7F3PLG
SCHEMBL4810056 0.89 F2 (0.42) ROCK2F10F2F7F3
SCHEMBL4811010 0.89 KMT2A (0.44) ROCK2F10F2F7F3

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-7417063-B2 Bicyclic heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US claimed
US-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent BRISTOL-MYERS SQUIBB COMPANY 2005-10-13 US claimed
US-7417063-B2 Bicyclic heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
US-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent BRISTOL-MYERS SQUIBB COMPANY 2005-10-13 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-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent F12, F11, F2 ROCK2 1511/4885F10 12/4885F2 3/4885

“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.