SCHEMBL3495574

SCHEMBL3495574

COc1ccc(Nc2ncc(F)c(NC3CC(C)(C)N(C)C3(C)C)n2)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 2/20 0.51
ULK2 Q8IYT8 2/20 0.51
PRKCQ Q04759 2/20 0.46
BCL6 P41182 4/20 0.45
PTK2 Q05397 2/20 0.44
JAK2 O60674 1/20 0.44
CYP3A4 P08684 1/20 0.44
JAK1 P23458 1/20 0.44
JAK3 P52333 1/20 0.44
BRD4 O60885 1/20 0.42
KIT P10721 1/20 0.41
FLT3 P36888 1/20 0.41
ALK Q9UM73 1/20 0.41
SYK P43405 2/20 0.40
AURKA O14965 1/20 0.40
LRRK2 Q5S007 2/20 0.39
EGFR P00533 1/20 0.39
ITK Q08881 1/20 0.39
MAP4K1 Q92918 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
SCHEMBL3495668 0.90 ULK1 (0.50) ULK1ULK2PRKCQBCL6JAK3
SCHEMBL3494060 0.90 PRKCQ (0.57) ULK1ULK2PRKCQBCL6PTK2
SCHEMBL3496406 0.88 BCL6 (0.59) PRKCQBCL6PTK2BRD4SYK
SCHEMBL3495533 0.86 ULK1 (0.55) ULK1ULK2PRKCQBCL6PTK2
SCHEMBL1743515 0.84 CDK2 (0.51) PRKCQJAK2JAK3BRD4KIT
SCHEMBL3495055 0.84 PRKCQ (0.50) ULK1ULK2PRKCQBCL6PTK2
SCHEMBL3495584 0.83 CDK4 (0.47) PRKCQJAK2JAK3BRD4KIT
SCHEMBL13248962 0.80 BRD4 (0.47) PRKCQJAK2JAK3BRD4KIT
SCHEMBL3494811 0.80 SYK (0.63) PRKCQSYKAURKAEGFRITK
SCHEMBL3495182 0.80 ULK1 (0.56) ULK1ULK2PRKCQPTK2JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. 2010-05-27 US claimed
EP-2183225-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2010-05-12 EP claimed
WO-2009012421-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2009-01-22 WO claimed
US-8993585-B2 Cyclic amine substituted pyrimidinediamines as PKC inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. 2010-05-27 US disclosed
EP-2183225-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
WO-2009012421-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2009-01-22 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 (1 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-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS PRKCH, PKD2, PRKCQ ULK1 832/4885ULK2 407/4885PRKCQ 3/4885

“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.