SCHEMBL3481335

SCHEMBL3481335

COc1ccc2nc(N3CCCC3)c(C#N)c(-c3cccc(Cl)c3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPK1 P28482 3/20 0.51
CASP1 P29466 3/20 0.51
CASP7 P55210 3/20 0.51
ALOX15 P16050 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
RUNX1 Q01196 1/20 0.51
CBFB Q13951 1/20 0.51
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 5/20 0.50
RAB9A P51151 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TP53 P04637 1/20 0.50
PABPC1 P11940 1/20 0.50
APEX1 P27695 1/20 0.50
ATM Q13315 1/20 0.50
PIM1 P11309 1/20 0.48
PIM2 Q9P1W9 1/20 0.48

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
SCHEMBL3481915 0.90 KDM4E (0.45) MAPTMEN1KMT2AMAPK1CASP1
SCHEMBL3481919 0.90 KDM4E (0.45) MAPTMEN1KMT2AMAPK1CASP1
SCHEMBL2168476 0.83 KDM4E (0.57) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL13401016 0.82 KDM4E (0.56) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL3482013 0.82 KDM4E (0.56) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL14917285 0.82 FABP4 (0.64) MAPTMEN1KMT2ACASP1CASP7
SCHEMBL14917256 0.82 ADORA2A (0.56) MAPTMEN1KMT2AMAPK1CASP1
SCHEMBL3481271 0.81 KDM4E (0.55) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL3481440 0.81 KDM4E (0.43) MAPTMEN1KMT2AMAPK1CASP1
SCHEMBL14916445 0.81 FABP4 (0.65) MAPTMEN1KMT2ATDP1KDM4E

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 MAPT 3994/4885MEN1 726/4885KMT2A 587/4885

“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.