SCHEMBL10202044

SCHEMBL10202044

CC(C)(C)c1cnc(N)nc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
DHFR P00374 2/20 0.39
PIK3CA P42336 2/20 0.38
PIK3CB P42338 2/20 0.38
MTOR P42345 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3C2B O00750 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CG P48736 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
NUDT1 P36639 4/20 0.38
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
ULK1 O75385 2/20 0.35

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
SCHEMBL15429579 0.86 DHFR (0.41) KDM4EDHFRNUDT1ALOX5APFEN1
SCHEMBL15038356 0.85 KDM4E (0.47) KDM4EDHFRPIK3CAPIK3CBMTOR
SCHEMBL179347 0.85 KDM4E (0.42) KDM4EDHFRPIK3CAPIK3CBMTOR
SCHEMBL20243898 0.82 KDM4E (0.48) KDM4EDHFRPIK3CAPIK3CBMTOR
SCHEMBL25086286 0.78 ASPH (0.30)
SCHEMBL12019751 0.76 ALOX5AP (0.42) DHFRNUDT1ALOX5APFEN1
SCHEMBL6936291 0.76 KDM4E (0.55) KDM4EPIK3CAPIK3CBMTORPIK3CD
SCHEMBL1319022 0.75 DHFR (0.50) DHFRNUDT1ALOX5APFEN1
SCHEMBL9284172 0.74 NUDT1 (0.44) KDM4EDHFRNUDT1ALOX5APFEN1
SCHEMBL2611051 0.73 KDM4E (0.45) KDM4EDHFRPIK3CAPIK3CBMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9993554-B2 Use of P13K Inhibitors for the Treatment of Obesity, Steatosis and ageing CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2018-06-12 US disclosed
US-9993554-B2 Use of P13K Inhibitors for the Treatment of Obesity, Steatosis and ageing CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2018-06-12 US disclosed
US-8778935-B2 Imidazopyrazines for use as kinase inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-07-15 US disclosed
US-20140154232-A1 Use of Pl3K Inhibitors for the Treatment of Obesity, Steatosis and Ageing CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-06-05 US disclosed
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-04-05 US disclosed
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-04-05 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 (2 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-20140154232-A1 Use of Pl3K Inhibitors for the Treatment of Obesity, Steatosis and Ageing PLIN1, PCK2, PLIN3 KDM4E 2103/4885DHFR 4676/4885PIK3CA 126/4885
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS MTOR, PIK3CA, PI4KA KDM4E 748/4885DHFR 1457/4885PIK3CA 2/4885

“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.