SCHEMBL1322686

SCHEMBL1322686

O=C(Cc1ccc(F)cc1)Nc1nc2ccc(F)cn2c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
MAPK14 Q16539 2/20 0.45
GSK3B P49841 1/20 0.45
KMT2A Q03164 1/20 0.42
RET P07949 1/20 0.41
CACNA1H O95180 2/20 0.41
GAA P10253 1/20 0.40
NLRP3 Q96P20 1/20 0.40
USP7 Q93009 1/20 0.40
P2RY14 Q15391 1/20 0.40
GPR139 Q6DWJ6 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
PRKACA P17612 1/20 0.40
ROCK1 Q13464 1/20 0.40
RORC P51449 2/20 0.39
MAPK8 P45983 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 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
SCHEMBL1319684 1.00 TP53 (0.46) TP53MAPK14GSK3BKMT2ARET
SCHEMBL1320937 0.95 USP7 (0.46) TP53MAPK14GSK3BKMT2ARET
SCHEMBL1320095 0.94 MAPK14 (0.48) TP53MAPK14GSK3BKMT2ARET
SCHEMBL1320678 0.92 KMT2A (0.47) MAPK14KMT2AGAAGABRA1GABRB2
SCHEMBL1321208 0.92 MAPK14 (0.44) TP53MAPK14GSK3BKMT2ARET
SCHEMBL1320178 0.90 MAPK14 (0.44) TP53MAPK14GSK3BRETCACNA1H
SCHEMBL1320360 0.90 MAPK14 (0.48) TP53MAPK14GSK3BKMT2ARET
SCHEMBL1320917 0.90 CACNA1H (0.42) TP53MAPK14GSK3BKMT2ARET
SCHEMBL1320653 0.88 RET (0.47) TP53MAPK14GSK3BKMT2ARET
SCHEMBL1319610 0.88 USP7 (0.49) TP53MAPK14GSK3BKMT2ARET

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 10 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
EP-2536718-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS Icagen, Inc. (US) 2012-12-26 EP disclosed
US-8058274-B2 Heterocycles as potassium channel modulators ICAGEN, INC. (US) 2011-11-15 US disclosed
WO-2011102964-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2011-08-25 WO 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 TP53 2000/4885MAPK14 1648/4885GSK3B 543/4885
US-20090062290-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 TP53 1767/4885MAPK14 1612/4885GSK3B 435/4885
US-20100240663-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 TP53 1767/4885MAPK14 1612/4885GSK3B 435/4885

“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.