SCHEMBL4398475

SCHEMBL4398475

O=C(O)c1cnc2ccc(-c3ccccc3)cc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.68
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49
MAP4K4 O95819 3/20 0.48
CLK4 Q9HAZ1 2/20 0.48
CSNK1G2 P78368 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
MAP4K5 Q9Y4K4 1/20 0.48
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
LDHA P00338 1/20 0.47
KMO O15229 1/20 0.47
CDK8 P49336 1/20 0.46
CLK2 P49760 1/20 0.46
CDK7 P50613 1/20 0.46

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
SCHEMBL529524 0.89 MGAM (0.57) MGAMPDGFRBPDGFRAMAP4K4CLK4
SCHEMBL12504970 0.88 MGAM (0.56) MGAMMAP4K4CLK4CSNK1G2MKNK2
SCHEMBL529465 0.88 MAP4K4 (0.63) MGAMPDGFRBPDGFRAMAP4K4CLK4
SCHEMBL4123055 0.87 MGAM (0.58) MGAMPDGFRBPDGFRAMAP4K4CLK4
SCHEMBL27970954 0.83 RXRA (0.62) MGAMPDGFRBPDGFRAMAP4K4CLK4
SCHEMBL10465639 0.83 MGAM (0.70) MGAMPDGFRBPDGFRAKDM4ESMN1; SMN2
SCHEMBL15774917 0.81 KDM4E (0.64) MGAMKDM4ESMN1; SMN2NPC1ALDH1A1
SCHEMBL28048 0.81 MGAM (1.00) MGAMPDGFRBPDGFRAMAP4K4CLK4
SCHEMBL29362407 0.81 MGAM (1.00) MGAMPDGFRBPDGFRAMAP4K4CLK4
SCHEMBL8889438 0.80 PDGFRB (0.55) PDGFRBPDGFRAMAP4K4CLK4CSNK1G2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103906735-A Novel aryl-quinoline derivatives HOFFMANN LA ROCHE 2014-07-02 CN disclosed
CN-1740169-B Arylmethylamine derivatives for use as tryptase inhibitors AVENTIS PHARMA INC 2010-04-21 CN disclosed
EP-1296972-B1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-12-23 EP disclosed
CN-1740169-A Arylmethylamine derivatives for use as tryptase inhibitors AVENTIS PHARMA INC (US) 2006-03-01 CN disclosed
US-6977263-B2 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 US disclosed
CN-1230431-C Arylmethylamine derivatives useful as tryptase inhibitors AVENTIS PHARM PROD INC (US) 2005-12-07 CN disclosed
US-20050228018-A1 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 US disclosed
US-20030187020-A1 Chemical compounds AVENTISUB LLC 2003-10-02 US disclosed
CN-1439003-A Arylmethylamine derivatives useful as tryptase inhibitors AVENTIS PHARM PROD INC (US) 2003-08-27 CN disclosed
EP-1296972-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2003-04-02 EP disclosed
WO-2001090101-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2001-11-29 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 (2 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-20050228018-A1 Chemical compounds CMA1, TPSB2, TPSG1 MGAM 369/4885PDGFRB 607/4885PDGFRA 683/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 MGAM 369/4885PDGFRB 607/4885PDGFRA 683/4885

“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.