SCHEMBL1320872

SCHEMBL1320872

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
JAK1 P23458 5/20 0.39
MGLL Q99685 1/20 0.38
MAP3K5 Q99683 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PDE10A Q9Y233 1/20 0.36
JAK2 O60674 2/20 0.35
TYK2 P29597 1/20 0.34
TGFBR1 P36897 1/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL1321949 0.83 GAA (0.46) CDK4CCNE1CDK2JAK1MAP3K5
SCHEMBL1320006 0.78 GAA (0.44) JAK1GAA
SCHEMBL20798098 0.74 RAB9A (0.49) CDK4CCNE1CDK2MAP3K5L3MBTL1
SCHEMBL3146252 0.74 KDM4E (0.39) CDK4CCNE1CDK2JAK1MAP3K5
SCHEMBL18367355 0.74 MGLL (0.50) MGLLL3MBTL1PDE10AGAA
SCHEMBL3141656 0.73 MAP3K5 (0.38) CDK4CCNE1CDK2MAP3K5TGFBR1
SCHEMBL3141609 0.73 MAP3K5 (0.36) CDK4CCNE1CDK2JAK1MAP3K5
SCHEMBL30587619 0.72 MGLL (0.47) CDK4CDK2MGLLL3MBTL1PDE10A
SCHEMBL3146395 0.70 MAP3K5 (0.38) CDK4CCNE1CDK2JAK1MAP3K5
SCHEMBL2364683 0.69 PIK3CA (0.43)

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 CDK4 819/4885CCNE1 4260/4885CDK2 1365/4885
US-20090062290-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 CDK4 702/4885CCNE1 4203/4885CDK2 1165/4885
US-20100240663-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 CDK4 702/4885CCNE1 4203/4885CDK2 1165/4885

“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.