SCHEMBL3481486

SCHEMBL3481486

COc1ccc2nc(N3C[C@@H](O)[C@H](O)C3)c(C#N)c(-c3cccc(F)c3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.46
KCNH2 Q12809 4/20 0.46
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
KDM4E B2RXH2 6/20 0.41
CASP1 P29466 4/20 0.41
CASP7 P55210 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 2/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 2/20 0.40
NPC1 O15118 2/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.40
PIM1 P11309 2/20 0.39
PIM2 Q9P1W9 2/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
PDE10A Q9Y233 1/20 0.39

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
SCHEMBL2170031 1.00 KCNA5 (0.46) KCNA5KCNH2MEN1KMT2AKDM4E
SCHEMBL3482350 1.00 KCNA5 (0.46) KCNA5KCNH2MEN1KMT2AKDM4E
SCHEMBL2168279 0.79 KDM4E (0.49) KCNA5KCNH2MEN1KMT2AKDM4E
SCHEMBL2183727 0.79 KCNH2 (0.70) KCNA5KCNH2MEN1KMT2AKDM4E
SCHEMBL3481335 0.76 MAPT (0.51) MEN1KMT2AKDM4ECASP1CASP7
SCHEMBL3481915 0.75 KDM4E (0.45) MEN1KMT2AKDM4ECASP1CASP7
SCHEMBL2169298 0.74 KCNA5 (0.59) KCNA5KCNH2KDM4EALDH1A1ABCC8
SCHEMBL2169804 0.74 KCNA5 (0.59) KCNA5KCNH2KDM4EALDH1A1ABCC8
SCHEMBL2169294 0.74 KCNA5 (0.59) KCNA5KCNH2KDM4EALDH1A1ABCC8
SCHEMBL3481934 0.74 USP2 (0.44) KCNA5KCNH2MEN1KMT2AKDM4E

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 8 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 claimed
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 claimed
US-7692017-B2 Quinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-04-06 US disclosed
US-7692017-B2 Quinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-04-06 US disclosed
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
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
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 KCNA5 28/4885KCNH2 1/4885MEN1 726/4885

“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.