SCHEMBL4774420

SCHEMBL4774420

Cc1cc(-c2cc(C)nc(C(=O)O)c2C)ccn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNC P24863 2/20 0.48
CDK8 P49336 2/20 0.48
PIK3CB P42338 1/20 0.40
FTO Q9C0B1 1/20 0.39
POLQ O75417 1/20 0.38
WNT3A P56704 3/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
PORCN Q9H237 1/20 0.38
KMO O15229 3/20 0.38
DYRK1A Q13627 2/20 0.37
ABL1 P00519 1/20 0.37
NFATC1 O95644 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.36

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
SCHEMBL4772430 0.87 PARP10 (0.42) CCNCCDK8POLQKMOPIK3C3
SCHEMBL4776064 0.78 KMO (0.47) POLQKMO
SCHEMBL4774416 0.78 GPR35 (0.51) KMO
SCHEMBL1794178 0.77 GRM5 (0.54)
SCHEMBL4778508 0.77 DHODH (0.43)
SCHEMBL24501138 0.75 POLQ (0.53) CCNCCDK8PIK3CBFTOPOLQ
SCHEMBL4774393 0.75 AR (0.42) KMO
SCHEMBL30640140 0.75 POLQ (0.53) CCNCCDK8PIK3CBFTOPOLQ
SCHEMBL4769713 0.75 GRM5 (0.36) POLQKMO
SCHEMBL4769554 0.74 KMO (0.50) PSEN1PSEN2APH1BNCSTNAPH1A

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 CCNC 4082/4885CDK8 1775/4885PIK3CB 2778/4885

“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.