SCHEMBL2364683

SCHEMBL2364683

O=C(Nc1cn2nc(C(F)(F)F)ccc2n1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.43
CSNK1D P48730 15/20 0.43
CSNK1E P49674 15/20 0.43
KDR P35968 4/20 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
SCHEMBL14999136 0.83 CSNK1D (0.46) PIK3CACSNK1DCSNK1EKDR
SCHEMBL172081 0.83 CSNK1D (0.42) PIK3CACSNK1DCSNK1EKDR
SCHEMBL12664176 0.83 PIK3CA (0.46) PIK3CACSNK1DCSNK1EKDR
SCHEMBL3713024 0.77 CSNK1D (0.38) PIK3CACSNK1DCSNK1EKDR
SCHEMBL21033315 0.74 PTGS1 (0.41) CSNK1DCSNK1E
SCHEMBL26505435 0.73 PIK3CA (0.49) PIK3CACSNK1DCSNK1EKDR
SCHEMBL13188135 0.73 PIK3CD (0.53) PIK3CACSNK1DCSNK1E
SCHEMBL30845789 0.72 TGFBR1 (0.43) CSNK1DCSNK1E
SCHEMBL30845874 0.72 DRD2 (0.40) CSNK1DCSNK1E
SCHEMBL1318544 0.71 MAP3K5 (0.61) PIK3CACSNK1DCSNK1E

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326180-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-10 US disclosed
EP-3077393-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2016-10-12 EP disclosed
WO-2015084384-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-06-11 WO disclosed
US-20150158868-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2015-06-11 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-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-2536718-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS Icagen, Inc. (US) 2012-12-26 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 PIK3CA 1090/4885CSNK1D 2368/4885CSNK1E 2460/4885
US-20150158868-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, MAP3K20, CHEK1 PIK3CA 84/4885CSNK1D 284/4885CSNK1E 122/4885
US-20160326180-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, MAP3K20, CHEK1 PIK3CA 84/4885CSNK1D 284/4885CSNK1E 122/4885
US-20100240663-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 PIK3CA 973/4885CSNK1D 2378/4885CSNK1E 2628/4885

“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.