SCHEMBL4807591

SCHEMBL4807591

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
F10 P00742 4/20 0.39
F2 P00734 2/20 0.39
F7 P08709 2/20 0.39
F3 P13726 2/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.37
ROCK2 O75116 4/20 0.36
CYP3A4 P08684 2/20 0.36
MMP2 P08253 1/20 0.36
STAT3 P40763 1/20 0.36
HTT P42858 1/20 0.36
MMP13 P45452 1/20 0.36
MAPK14 Q16539 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2D6 P10635 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
SCHEMBL4807167 0.93 F10 (0.42) F10F2F7F3ALDH1A1
SCHEMBL4812866 0.92 PIK3CA (0.44) PIK3CASMN1; SMN2F10F2F7
SCHEMBL4804444 0.91 ROCK2 (0.44) PIK3CASMN1; SMN2F10F2F7
SCHEMBL4808119 0.90 F2 (0.35) PIK3CASMN1; SMN2F10F2F7
SCHEMBL4815189 0.88 F3 (0.37) F10F2F7F3
SCHEMBL4815144 0.88 PPARG (0.41) PIK3CASMN1; SMN2F10ALDH1A1GAA
SCHEMBL4815590 0.88 PLAU (0.38) F10F2F7F3
SCHEMBL4811462 0.87 F7 (0.36) F10F2F7F3
SCHEMBL4812162 0.86 F2 (0.34) SMN1; SMN2F10F2F7F3
SCHEMBL4810755 0.86 P2RX3 (0.43) F10F2F7F3

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 2 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

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 PIK3CA 555/4885SMN1; SMN2 4631/4885F10 12/4885

“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.