SCHEMBL1369559

SCHEMBL1369559

COc1ccc(-c2ccccc2C(C)N(c2cccnc2)c2cccnc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.42
CYP19A1 P11511 1/20 0.41
JAK2 O60674 1/20 0.39
FYN P06241 2/20 0.38
OXTR P30559 6/20 0.38
CYP2A6 P11509 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
AVPR1A P37288 1/20 0.35
AVPR2 P30518 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
USP1 O94782 1/20 0.35
WDR48 Q8TAF3 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL1369553 0.84 KCNA5 (0.43) CYP19A1CYP2A6USP1WDR48
SCHEMBL1367701 0.83 CYP2A6 (0.48) CYP2A6USP1WDR48
SCHEMBL1368747 0.83 FEN1 (0.40) FYNUSP1WDR48
SCHEMBL14451312 0.81 KDM4E (0.44) FYNMKNK1MKNK2MAPK1
SCHEMBL1369604 0.81 BRD9 (0.38) USP1WDR48
SCHEMBL14450904 0.80 RAB9A (0.38) RPS6KA3CYP2A6USP1WDR48
SCHEMBL14451459 0.80 POLB (0.42) CYP19A1FYNSLC22A12MAPK1
SCHEMBL1367002 0.80 KCNA5 (0.45) USP1WDR48
SCHEMBL14450914 0.79 PRKCZ (0.35) FYNUSP1WDR48
SCHEMBL14450916 0.79 GPR55 (0.41) RPS6KA3USP1WDR48

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
EP-1993551-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-11-26 EP claimed
WO-2007089735-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO 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
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 RPS6KA3 2037/4885CYP19A1 3955/4885JAK2 2639/4885

“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.