SCHEMBL4769103

SCHEMBL4769103

COc1ccc(-c2cc(C)nc(C(=O)O)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 7/20 0.64
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
MAPT P10636 1/20 0.54
RECQL P46063 1/20 0.54
KDM4E B2RXH2 2/20 0.52
POLB P06746 1/20 0.52
HSD17B10 Q99714 1/20 0.52
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
DYRK1A Q13627 1/20 0.49
RXRA P19793 1/20 0.49
CFTR P13569 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SENP8 Q96LD8 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
SCHEMBL17595320 0.90 MCL1 (0.71) MCL1ALDH1A1HPGDMAPTRECQL
SCHEMBL4775930 0.84 ALDH1A1 (0.57) MCL1ALDH1A1HPGDKDM4EPOLB
SCHEMBL17682471 0.81 DYRK1A (0.63) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL4772052 0.81 ALOX15 (0.46) MCL1ALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL4772296 0.81 SCN9A (0.51) MCL1KDM4E
SCHEMBL4772437 0.81 MKNK1 (0.49) MCL1ALDH1A1HPGDKDM4EPOLB
SCHEMBL7226501 0.80 KDM4E (0.53) MCL1ALDH1A1HPGDMAPTRECQL
SCHEMBL14496264 0.80 MCL1 (0.72) MCL1ALDH1A1HPGDMAPTRECQL
SCHEMBL24573026 0.78 DYRK1A (0.60) MCL1ALDH1A1HPGDMAPTRECQL
SCHEMBL3564371 0.77 RXRA (0.47) MCL1MAPTRXRASMN1; SMN2NPC1

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 MCL1 3453/4885ALDH1A1 1349/4885HPGD 3294/4885

“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.