SCHEMBL1754692

SCHEMBL1754692

Cc1noc(-c2ccccc2)c1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.56
TDO2 P48775 1/20 0.56
BRD2 P25440 1/20 0.50
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.41
NOTUM Q6P988 1/20 0.41
PTPN1 P18031 1/20 0.41
LPAR1 Q92633 1/20 0.40
LPAR3 Q9UBY5 1/20 0.40
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
NR4A2 P43354 1/20 0.40
HPGD P15428 1/20 0.39
GAA P10253 2/20 0.38
CDK8 P49336 1/20 0.38
ACVR1 Q04771 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL13388 0.96 BRD4 (0.53) BRD4TDO2BRD2ALDH1A1MAPT
SCHEMBL14789798 0.82 RAB9A (0.40) BRD4TDO2ALDH1A1MAPTSMN1; SMN2
SCHEMBL13959385 0.82 MAPK14 (0.40) BRD4TDO2ALDH1A1MAPTSMN1; SMN2
SCHEMBL13959849 0.82 CHEK1 (0.48) BRD4TDO2ALDH1A1MAPTSMN1; SMN2
SCHEMBL13959362 0.81 PTGS2 (0.42) BRD4TDO2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL1223 0.81 MEN1 (0.39) BRD4TDO2ALDH1A1MAPTSMN1; SMN2
SCHEMBL3751072 0.79 BRD4 (0.53) BRD4TDO2BRD2ALDH1A1MAPT
SCHEMBL13959846 0.79 SMN1; SMN2 (0.44) BRD4TDO2MAPTSMN1; SMN2KDM4E
SCHEMBL13959867 0.78 KMT2A (0.47) BRD4ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL21105338 0.78 BRD4 (0.68) BRD4TDO2BRD2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
CN-1056837-C 5-arylisoxazol-4-yl-substituted 2-aminocarboxylic acid compounds LUNDBECK & CO AS H (DK) 2000-09-27 CN disclosed
CN-1136810-A 5-arylisoxazol-4-yl-substituted 2-aminocarboxylic acid compounds LUNDBECK & CO AS H (DK) 1996-11-27 CN 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-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 BRD4 1510/4885TDO2 4512/4885BRD2 1720/4885

“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.