SCHEMBL13401008

SCHEMBL13401008

COCc1nc(-c2cccnc2)no1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.67
MAPT P10636 2/20 0.64
POLB P06746 1/20 0.64
PPARA Q07869 1/20 0.63
ALDH1A1 P00352 4/20 0.62
KMT2A Q03164 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.61
TSHR P16473 3/20 0.61
LMNA P02545 2/20 0.61
ATM Q13315 1/20 0.61
RAB9A P51151 4/20 0.60
NPC1 O15118 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
MAPK1 P28482 3/20 0.59
CHRNB2 P17787 1/20 0.58
CHRNA5 P30532 1/20 0.58
CHRNA4 P43681 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
GAA P10253 1/20 0.58

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
SCHEMBL30472092 0.85 KDM4E (0.62) KDM4EMAPTPOLBPPARAALDH1A1
SCHEMBL3481292 0.83 CYP1A2 (0.66) KDM4EMAPTPOLBPPARAALDH1A1
SCHEMBL12369729 0.83 PPARA (0.72) KDM4EMAPTPOLBPPARAALDH1A1
SCHEMBL2089122 0.83 RAB9A (0.69) KDM4EMAPTALDH1A1KMT2AL3MBTL1
SCHEMBL4107632 0.82 RAB9A (0.76) KDM4EMAPTPOLBALDH1A1KMT2A
SCHEMBL30282014 0.81 MAPK1 (0.57) KDM4EMAPTPOLBPPARAALDH1A1
SCHEMBL12396054 0.81 PPARA (0.82) KDM4EMAPTPPARAALDH1A1KMT2A
SCHEMBL19080613 0.79 L3MBTL1 (0.65) KDM4EMAPTPOLBPPARAALDH1A1
SCHEMBL5959943 0.79 RAB9A (0.73) KDM4EMAPTPOLBALDH1A1KMT2A
SCHEMBL12377806 0.77 SMN1; SMN2 (0.70) KDM4EMAPTALDH1A1KMT2AL3MBTL1

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 3 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
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 3994/4885POLB 4853/4885

“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.