SCHEMBL4772430

SCHEMBL4772430

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.42
PARP11 Q9NR21 1/20 0.42
POLQ O75417 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
SMARCA2 P51531 2/20 0.40
SMARCA4 P51532 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMO O15229 5/20 0.39
PIK3C3 Q8NEB9 2/20 0.39
RORB Q92753 3/20 0.38
RORC P51449 2/20 0.38
CCNC P24863 2/20 0.38
CDK8 P49336 2/20 0.38
MEN1 O00255 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 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
SCHEMBL4774420 0.87 CCNC (0.48) POLQKMOPIK3C3CCNCCDK8
SCHEMBL1796425 0.79 SMARCA2 (0.57) POLQSMARCA2SMARCA4ALDH1A1SMN1; SMN2
SCHEMBL1795689 0.78 POLQ (0.42) PARP10PARP11POLQSMARCA2SMARCA4
SCHEMBL4769554 0.77 KMO (0.50) SMN1; SMN2KMO
SCHEMBL1795358 0.76 GRM5 (0.52) POLQALDH1A1SMN1; SMN2
SCHEMBL24501303 0.76 POLQ (0.56) PARP10PARP11POLQAKR1C3AKR1C2
SCHEMBL31032154 0.76 POLQ (0.56) PARP10PARP11POLQAKR1C3AKR1C2
SCHEMBL4771320 0.74 KMO (0.51) SMARCA2SMARCA4ALDH1A1MAPK1SMN1; SMN2
SCHEMBL4774416 0.74 GPR35 (0.51) AKR1C3AKR1C2MAPK1SMN1; SMN2KMO
SCHEMBL4776064 0.74 KMO (0.47) POLQAKR1C3AKR1C2SMN1; SMN2KMO

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 PARP10 2486/4885PARP11 2344/4885POLQ 4810/4885

“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.