SCHEMBL3481836

SCHEMBL3481836

COc1ccc2nc(N(C)C)c(C#N)c(-c3cccc(Cl)c3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CDK2 P24941 1/20 0.44
CLK1 P49759 1/20 0.44
ABCC8 Q09428 1/20 0.43
KCNJ11 Q14654 1/20 0.43
CYP2C9 P11712 3/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C19 P33261 3/20 0.42
USP2 O75604 2/20 0.42
MAPK1 P28482 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
HSD17B10 Q99714 2/20 0.42
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
FABP5 Q01469 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL2168476 0.87 KDM4E (0.57) KDM4EMAPTNPSR1CDK2CLK1
SCHEMBL3482013 0.86 KDM4E (0.56) KDM4EMAPTNPSR1CDK2CLK1
SCHEMBL13401016 0.86 KDM4E (0.56) KDM4EMAPTNPSR1CDK2CLK1
SCHEMBL3481271 0.85 KDM4E (0.55) KDM4EMAPTNPSR1CDK2CLK1
SCHEMBL2171278 0.83 KDM4E (0.43) KDM4EMAPTNPSR1CDK2CLK1
SCHEMBL3481335 0.80 MAPT (0.51) KDM4EMAPTNPSR1CDK2CLK1
SCHEMBL3481736 0.79 KDM4E (0.44) KDM4EMAPTNPSR1CDK2CLK1
SCHEMBL2168526 0.78 ADORA2A (0.48) KDM4EMAPTNPSR1CDK2CLK1
SCHEMBL14927277 0.77 ADORA1 (0.45) KDM4ENPSR1CYP2C9MAPK1FABP3
SCHEMBL2168279 0.76 KDM4E (0.49) KDM4EMAPTNPSR1CDK2CLK1

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-7692017-B2 Quinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-04-06 US disclosed
US-20070043042-A1 Such as 2-(Allyloxy)-4-(3-fluorophenyl)-6-methoxyquinoline-3-carbonitrile; for treating cardiac arrhthymias MERCK & CO., INC. (US) 2007-02-22 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-20070043042-A1 Such as 2-(Allyloxy)-4-(3-fluorophenyl)-6-methoxyquinoline-3-carbonitrile; for treating cardiac arrhthymias KCNH2, KCNJ2, KCNQ1 KDM4E 1076/4885MAPT 3994/4885NPSR1 1740/4885

“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.