SCHEMBL13102460

SCHEMBL13102460

CCc1nc2c(Cl)cccc2c(=O)n1NC(=O)Cc1cccc(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.44
ERCC4 Q92889 1/20 0.44
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PARP14 Q460N5 1/20 0.40
YTHDC1 Q96MU7 1/20 0.39
ABCB1 P08183 1/20 0.39
ROCK1 Q13464 1/20 0.39
GLS O94925 1/20 0.39
HDAC6 Q9UBN7 3/20 0.39
RORC P51449 1/20 0.39
LMNA P02545 3/20 0.38
MAPK8 P45983 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ROCK2 O75116 1/20 0.37
GRIA2 P42262 1/20 0.37

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
SCHEMBL13102437 0.90 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL13102097 0.87 ERCC1 (0.42) ERCC1ERCC4ALDH1A1CYP3A4PARP14
SCHEMBL3070912 0.86 CYP3A4 (0.52) ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL13101705 0.85 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL13102011 0.85 ERCC1 (0.40) ERCC1ERCC4ALDH1A1CYP3A4CYP1A2
SCHEMBL13101724 0.83 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL13102203 0.79 NPSR1 (0.47) ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL13102205 0.78 NPSR1 (0.48) ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL13102098 0.77 ALDH1A1 (0.41) ALDH1A1RORCLMNANPSR1MEN1
SCHEMBL13102099 0.77 ALDH1A1 (0.42) ERCC1ERCC4ALDH1A1CYP3A4ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329713-B2 Fused ring heterocycles as potassium channel modulators ICAGEN INC. (US) 2012-12-11 US disclosed
US-20100273784-A1 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2010-10-28 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-20100273784-A1 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNK17, KCNJ2, KCNJ1 ERCC1 2046/4885ERCC4 2847/4885ALDH1A1 2354/4885

“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.