SCHEMBL13401016

SCHEMBL13401016

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
MAPT P10636 3/20 0.47
CDK2 P24941 1/20 0.47
CLK1 P49759 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ABCC8 Q09428 1/20 0.46
KCNJ11 Q14654 1/20 0.46
ADORA1 P30542 7/20 0.45
ADORA2A P29274 5/20 0.45
ADORA2B P29275 3/20 0.45
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 3/20 0.43
POLB P06746 1/20 0.43
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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 0.90 KDM4E (0.57) KDM4EMAPTCDK2CLK1NPSR1
SCHEMBL3482013 0.89 KDM4E (0.56) KDM4EMAPTCDK2CLK1NPSR1
SCHEMBL3481271 0.88 KDM4E (0.55) KDM4EMAPTCDK2CLK1NPSR1
SCHEMBL3481836 0.86 KDM4E (0.53) KDM4EMAPTCDK2CLK1NPSR1
SCHEMBL3481335 0.82 MAPT (0.51) KDM4EMAPTCDK2CLK1NPSR1
SCHEMBL2168526 0.81 ADORA2A (0.48) KDM4EMAPTCDK2CLK1NPSR1
SCHEMBL19889941 0.79 KDM4E (0.60) KDM4EMAPTCDK2CLK1NPSR1
SCHEMBL2168279 0.79 KDM4E (0.49) KDM4EMAPTCDK2CLK1NPSR1
SCHEMBL3481915 0.79 KDM4E (0.45) KDM4EMAPTCDK2CLK1NPSR1
SCHEMBL3481919 0.79 KDM4E (0.45) KDM4EMAPTCDK2CLK1NPSR1

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 3994/4885CDK2 1235/4885

“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.