SCHEMBL4771320

SCHEMBL4771320

Cc1cc(-c2ccnc(Cl)c2)cc(C(=O)O)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 3/20 0.51
FTO Q9C0B1 2/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GRM5 P41594 1/20 0.41
MAPK1 P28482 1/20 0.41
SMARCA2 P51531 2/20 0.41
SMARCA4 P51532 2/20 0.41
KDM4E B2RXH2 3/20 0.40
KDM6B O15054 1/20 0.40
TET3 O43151 1/20 0.40
KDM4A O75164 1/20 0.40
BBOX1 O75936 1/20 0.40
MAPT P10636 1/20 0.40
KDM5A P29375 1/20 0.40
KDM5C P41229 1/20 0.40
ASPH Q12797 1/20 0.40
KDM4D Q6B0I6 1/20 0.40

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
SCHEMBL4769620 0.88 KMO (0.49) KMOFTOCCNCCDK8ALDH1A1
SCHEMBL1796947 0.82 CDK5 (0.48) CCNCCDK8ALDH1A1MAPK1MAPT
SCHEMBL1794469 0.82 SMARCA2 (0.56) GRM5SMARCA2SMARCA4
SCHEMBL4777616 0.82 KMO (0.44) KMOFTOCCNCCDK8ALDH1A1
SCHEMBL1797503 0.80 SMARCA2 (0.60) GRM5SMARCA2SMARCA4PORCN
SCHEMBL1799552 0.79 NAPRT (0.44) KMOALDH1A1SMN1; SMN2MAPK1MCL1
SCHEMBL1796836 0.79 SORT1 (0.52) GRM5SMARCA2SMARCA4
SCHEMBL4776002 0.79 MYC (0.50) KMOFTOALDH1A1SMN1; SMN2GRM5
SCHEMBL4772052 0.79 ALOX15 (0.46) KMOALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL1796453 0.79 SMARCA2 (0.61) GRM5SMARCA2SMARCA4PORCN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987003-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP claimed
WO-2007093542-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO claimed
US-20070197553-A1 4-Aryl-pyridine-2-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2007-08-23 US claimed
EP-1987003-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP disclosed
WO-2007093542-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO disclosed
US-20070197553-A1 4-Aryl-pyridine-2-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2007-08-23 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-20070197553-A1 4-Aryl-pyridine-2-carboxyamide derivatives GRM2, GRM1, GRM3 KMO 1037/4885FTO 2835/4885CCNC 4082/4885

“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.