SCHEMBL1320006

SCHEMBL1320006

O=C(Cc1ccc(F)cc1)Nc1cn2c(C(F)(F)F)cccc2n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
JAK1 P23458 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
CACNA1H O95180 4/20 0.41
RIOK2 Q9BVS4 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
CACNA1G O43497 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.39
KCNQ2 O43526 1/20 0.39
CSNK1D P48730 1/20 0.38
CSNK1E P49674 1/20 0.38

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
SCHEMBL1320872 0.78 CDK4 (0.39) GAAJAK1
SCHEMBL1320653 0.69 RET (0.47) ALDH1A1KDM4EHPGDRIOK2SMN1; SMN2
SCHEMBL1320400 0.68 RET (0.44) KDM4ERIOK2NPC1KMT2ALMNA
SCHEMBL1319610 0.68 USP7 (0.49) ALDH1A1KDM4EHPGDKMT2ACSNK1D
SCHEMBL1320178 0.68 MAPK14 (0.44) GAACACNA1HRIOK2SMN1; SMN2LMNA
SCHEMBL1320937 0.68 USP7 (0.46) GAAALDH1A1CACNA1HNPC1RAB9A
SCHEMBL1322686 0.68 TP53 (0.46) GAACACNA1HKMT2A
SCHEMBL1319684 0.68 TP53 (0.46) GAACACNA1HKMT2A
SCHEMBL1320171 0.67 NPC1 (0.49) GAAALDH1A1KDM4EHPGDNPC1
SCHEMBL1319242 0.67 USP7 (0.56) GAAALDH1A1KDM4EHPGDNPC1

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 11 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-2178373-B1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN INC (US) 2013-01-23 EP 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 GAA 1408/4885JAK1 2004/4885ALDH1A1 2020/4885
US-20090062290-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 GAA 1268/4885JAK1 2202/4885ALDH1A1 2150/4885
US-20100240663-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 GAA 1268/4885JAK1 2202/4885ALDH1A1 2150/4885

“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.