SCHEMBL4775929

SCHEMBL4775929

Cc1cc(-c2cc(C)nc(C(=O)O)c2)cc(C#N)n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 10/20 0.38
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 0.34
GPR35 Q9HC97 1/20 0.34
KMO O15229 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
EIF4EBP1 Q13541 1/20 0.33

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
SCHEMBL4776002 0.86 MYC (0.50) ALDH1A1SMN1; SMN2KMOKDM4EEIF4EBP1
SCHEMBL4772052 0.82 ALOX15 (0.46) MCL1ALOX15TSHRHIF1AALDH1A1
SCHEMBL4772289 0.81 MCL1 (0.44) MCL1
SCHEMBL4775928 0.78 F11 (0.54) SMN1; SMN2
SCHEMBL4775974 0.78 CYP11B2 (0.42)
SCHEMBL10253381 0.76 KDM4E (0.49) ALDH1A1SMN1; SMN2MAPK1KDM4EHPGD
SCHEMBL3090482 0.76 ALOX15 (0.41) ALOX15TSHRHIF1AALDH1A1SMN1; SMN2
SCHEMBL14151044 0.76 TPMT (0.42) ALOX15TSHRHIF1AALDH1A1SMN1; SMN2
SCHEMBL1793527 0.75 GRM5 (0.53) KDM4E
SCHEMBL4777388 0.75 GRM5 (0.44) MCL1ALOX15TSHRHIF1AALDH1A1

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 3453/4885ALOX15 3534/4885TSHR 283/4885

“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.