SCHEMBL1320095

SCHEMBL1320095

O=C(Cc1ccccc1)Nc1nc2ccc(F)cn2c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.48
CSNK1D P48730 2/20 0.43
CNR2 P34972 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
P2RY14 Q15391 1/20 0.41
TP53 P04637 1/20 0.41
RET P07949 1/20 0.40
HIF1A Q16665 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
GSK3B P49841 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
NR2E1 Q9Y466 1/20 0.39
TMIGD3 P0DMS9 1/20 0.39
CSNK1E P49674 1/20 0.39
GPR139 Q6DWJ6 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
NLRP3 Q96P20 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
SCHEMBL1320360 0.94 MAPK14 (0.48) MAPK14CSNK1DCNR2TP53RET
SCHEMBL1319684 0.94 TP53 (0.46) MAPK14P2RY14TP53RETKMT2A
SCHEMBL1322686 0.94 TP53 (0.46) MAPK14P2RY14TP53RETKMT2A
SCHEMBL1321328 0.92 MAPK14 (0.53) MAPK14CNR2KMT2ATMIGD3ADORA3
SCHEMBL1320928 0.91 MAPK14 (0.49) MAPK14MEN1KMT2ATMIGD3ADORA3
SCHEMBL1320178 0.90 MAPK14 (0.44) MAPK14CSNK1DLMNAHTTP2RY14
SCHEMBL1321274 0.90 CSNK1D (0.46) MAPK14CSNK1DCNR2LMNAHTT
SCHEMBL1320154 0.89 MEN1 (0.47) MAPK14CSNK1DP2RY14RETMEN1
SCHEMBL1320937 0.89 USP7 (0.46) MAPK14P2RY14TP53RETMEN1
SCHEMBL1320480 0.87 CACNA1H (0.48) MAPK14CSNK1DP2RY14TMIGD3GPR139

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-9018208-B2 Heterocycles as potassium channel modulators ICAGEN INC. (US) 2015-04-28 US disclosed
US-20130143889-A1 Heterocycles As Potassium Channel Modulators ICAGEN INC. (US) 2013-06-06 US disclosed
US-8431608-B2 Heterocycles as potassium channel modulators ICAGEN INC. (US) 2013-04-30 US disclosed
US-8058274-B2 Heterocycles as potassium channel modulators ICAGEN, INC. (US) 2011-11-15 US disclosed
US-20100240663-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2010-09-23 US disclosed
EP-2178373-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS Icagen, Inc. (US) 2010-04-28 EP disclosed
US-20090062290-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2009-03-05 US disclosed
WO-2009026254-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2009-02-26 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 (3 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-20130143889-A1 Heterocycles As Potassium Channel Modulators KCNK10, KCNK9, KCNJ2 MAPK14 1648/4885CSNK1D 2368/4885CNR2 1163/4885
US-20090062290-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 MAPK14 1612/4885CSNK1D 2378/4885CNR2 1075/4885
US-20100240663-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 MAPK14 1612/4885CSNK1D 2378/4885CNR2 1075/4885

“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.