SCHEMBL1319610

SCHEMBL1319610

O=C(Cc1ccc(F)cc1)Nc1nc2ccccn2c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 3/20 0.49
MAPK14 Q16539 3/20 0.46
TP53 P04637 1/20 0.45
CSNK1D P48730 3/20 0.44
CSNK1E P49674 3/20 0.44
NTRK1 P04629 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
GSK3B P49841 1/20 0.43
P2RY14 Q15391 1/20 0.43
NLRP3 Q96P20 1/20 0.41
KMT2A Q03164 1/20 0.40
RET P07949 1/20 0.40

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
SCHEMBL1319242 0.93 USP7 (0.56) USP7MAPK14CSNK1DCSNK1EKDM4E
SCHEMBL1320400 0.89 RET (0.44) USP7NTRK1KDM4EP2RY14KMT2A
SCHEMBL1319684 0.88 TP53 (0.46) USP7MAPK14TP53GSK3BP2RY14
SCHEMBL1322686 0.88 TP53 (0.46) USP7MAPK14TP53GSK3BP2RY14
SCHEMBL1321371 0.87 CACNA1H (0.48) USP7MAPK14KDM4EALDH1A1HPGD
SCHEMBL1320937 0.87 USP7 (0.46) USP7MAPK14TP53ALDH1A1GSK3B
SCHEMBL1320178 0.86 MAPK14 (0.44) USP7MAPK14TP53CSNK1DCSNK1E
SCHEMBL1320095 0.86 MAPK14 (0.48) MAPK14TP53CSNK1DCSNK1EGSK3B
SCHEMBL1320360 0.86 MAPK14 (0.48) USP7MAPK14TP53CSNK1DCSNK1E
SCHEMBL1321728 0.86 USP7 (0.47) USP7MAPK14TP53CSNK1DALDH1A1

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 USP7 2505/4885MAPK14 1648/4885TP53 2000/4885
US-20090062290-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 USP7 2598/4885MAPK14 1612/4885TP53 1767/4885
US-20100240663-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 USP7 2598/4885MAPK14 1612/4885TP53 1767/4885

“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.