SCHEMBL1367701

SCHEMBL1367701

CC(c1ccccc1-c1ccc(Cl)nc1)N(c1cccnc1)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.48
KCNA5 P22460 6/20 0.38
PDK1 Q15118 1/20 0.35
GAA P10253 1/20 0.35
PTGS2 P35354 1/20 0.33
KCND3 Q9UK17 1/20 0.33
USP1 O94782 3/20 0.33
WDR48 Q8TAF3 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL14450917 0.86 CYP19A1 (0.43) KCNA5PTGS2NPC1RAB9A
SCHEMBL1369553 0.86 KCNA5 (0.43) CYP2A6KCNA5GAAPTGS2USP1
SCHEMBL1368747 0.85 FEN1 (0.40) KCNA5GAAPTGS2USP1WDR48
SCHEMBL1369559 0.83 RPS6KA3 (0.42) CYP2A6USP1WDR48
SCHEMBL14450904 0.82 RAB9A (0.38) CYP2A6KCNA5GAAPTGS2USP1
SCHEMBL1367002 0.82 KCNA5 (0.45) KCNA5GAAPTGS2USP1WDR48
SCHEMBL14450914 0.81 PRKCZ (0.35) KCNA5GAAPTGS2USP1WDR48
SCHEMBL14450916 0.81 GPR55 (0.41) KCNA5GAAPTGS2USP1WDR48
SCHEMBL14450923 0.81 KCNA5 (0.44) KCNA5GAANPC1RAB9A
SCHEMBL14450918 0.81 KCNA5 (0.44) KCNA5KCND3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067607-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-11-29 US claimed
US-20100004229-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2010-01-07 US claimed
US-8067607-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-11-29 US disclosed
US-20100004229-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2010-01-07 US disclosed
EP-1993551-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-11-26 EP disclosed
WO-2007089735-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO disclosed
WO-2007089735-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO 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-20100004229-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 CYP2A6 1548/4885KCNA5 20/4885PDK1 857/4885

“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.