SCHEMBL4811035

SCHEMBL4811035

CCn1cc(Cc2ccc(C(=O)NCc3cccnc3)cc2-c2ccc(OC)cc2C(=O)O)c2ccc(C(=N)N)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.47
GAA P10253 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PDE10A Q9Y233 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
USP2 O75604 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PIK3CA P42336 2/20 0.41
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PLG P00747 1/20 0.41

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 0.93 F10 (0.45) ROCK2GAAALDH1A1PDE10ATSHR
SCHEMBL4804444 0.92 ROCK2 (0.44) ROCK2ALDH1A1PDE10APIK3CAF2
SCHEMBL4812866 0.91 PIK3CA (0.44) ROCK2GAAALDH1A1MAPK1KDM4E
SCHEMBL4813419 0.89 F2 (0.43) ROCK2ALDH1A1KDM4ETSHRF2
SCHEMBL4809436 0.89 F10 (0.44) ROCK2ALDH1A1MAPK1KDM4EPDE10A
SCHEMBL4810537 0.88 ROCK2 (0.46) ROCK2GAAALDH1A1MAPK1L3MBTL1
SCHEMBL6398608 0.88 F2 (0.47) ALDH1A1KDM4ETSHRF2F10
SCHEMBL4811010 0.87 KMT2A (0.44) ROCK2ALDH1A1KDM4EPDE10AMEN1
SCHEMBL4810056 0.87 F2 (0.42) ROCK2ALDH1A1KDM4ETSHRF2
SCHEMBL6394085 0.86 F2 (0.46) GAAALDH1A1KDM4ETSHRF2

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 1511/4885GAA 3560/4885ALDH1A1 3830/4885

“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.