SCHEMBL1318544

SCHEMBL1318544

O=C(Nc1cn2cc(F)ccc2n1)C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 8/20 0.61
LRRK2 Q5S007 7/20 0.42
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
PIK3C3 Q8NEB9 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
ABL1 P00519 3/20 0.41
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
CSNK1D P48730 1/20 0.39
CSNK1E P49674 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
SCHEMBL14468041 0.85 MAP3K5 (0.60) MAP3K5LRRK2PIK3CDPIK3CAPIK3CB
SCHEMBL1302968 0.84 MAP3K5 (0.60) MAP3K5LRRK2PIK3CDPIK3CAPIK3CB
SCHEMBL3137910 0.84 MAP3K5 (0.44) MAP3K5LRRK2PIK3CDPIK3CAPIK3CB
SCHEMBL14647252 0.82 MAP3K5 (0.54) MAP3K5LRRK2PIK3CDPIK3CAPIK3CB
SCHEMBL3413444 0.82 PIK3CA (0.45) MAP3K5LRRK2PIK3CDPIK3CAPIK3CB
SCHEMBL253485 0.82 MAP3K5 (0.61) MAP3K5LRRK2PIK3CDPIK3CAPIK3CB
SCHEMBL14445622 0.81 MAP3K5 (0.47) MAP3K5PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL251221 0.80 MAP3K5 (0.49) MAP3K5PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL20798098 0.79 RAB9A (0.49) MAP3K5ABL1
SCHEMBL12425473 0.79 MAP3K5 (0.51) MAP3K5LRRK2PIK3CDPIK3CAPIK3CB

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 31 patents — showing the first 20. 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-9018208-B2 Heterocycles as potassium channel modulators ICAGEN INC. (US) 2015-04-28 US disclosed
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-20130143889-A1 Heterocycles As Potassium Channel Modulators ICAGEN INC. (US) 2013-06-06 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-8431608-B2 Heterocycles as potassium channel modulators ICAGEN INC. (US) 2013-04-30 US disclosed
US-8431608-B2 Heterocycles as potassium channel modulators ICAGEN INC. (US) 2013-04-30 US disclosed
EP-2582703-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS Almirall S.A. (ES) 2013-04-24 EP disclosed
WO-2011102964-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2011-08-25 WO 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
US-20100240663-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2010-09-23 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
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
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 MAP3K5 734/4885LRRK2 699/4885PIK3CD 1436/4885
US-20090062290-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 MAP3K5 540/4885LRRK2 577/4885PIK3CD 1435/4885
US-20100240663-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 MAP3K5 540/4885LRRK2 577/4885PIK3CD 1435/4885

“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.