SCHEMBL4809282

SCHEMBL4809282

CCn1nc(Cc2ccc(C(=O)NCc3cnc(C)cn3)cc2-c2ccc(C)cc2C(=O)O)c2ccc(C(=N)N)cc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 14/20 0.43
P2RX2 Q9UBL9 14/20 0.43
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
WDR5 P61964 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PLG P00747 1/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34

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
SCHEMBL4806024 0.92 F2 (0.41) P2RX3P2RX2ALDH1A1F2F10
SCHEMBL4815003 0.88 ALDH1A1 (0.38) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL4810755 0.87 P2RX3 (0.43) P2RX3P2RX2WDR5F2F10
SCHEMBL4811754 0.86 PIK3CA (0.46) ALDH1A1CYP1A2HPGDCYP2C19SMN1; SMN2
SCHEMBL4812450 0.81 P2RX3 (0.40) P2RX3P2RX2WDR5F2F10
SCHEMBL4816068 0.81 SLC22A12 (0.39) F2F10PLGF7F3
SCHEMBL4816122 0.81 P2RX3 (0.43) P2RX3P2RX2KDM4EALDH1A1CYP1A2
SCHEMBL4809079 0.80 P2RX3 (0.43) P2RX3P2RX2WDR5
SCHEMBL4812948 0.80 F2 (0.43) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL6393447 0.79 F2 (0.41) P2RX3P2RX2ALDH1A1F2F10

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 P2RX3 1152/4885P2RX2 1535/4885KDM4E 316/4885

“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.