SCHEMBL3496348

SCHEMBL3496348

CN1C(C)(C)CC(Nc2nc(Nc3ccc(Br)c(C(F)(F)F)c3)ncc2F)CC1(C)C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 1/20 0.53
STK17A Q9UEE5 2/20 0.49
STK17B O94768 1/20 0.47
ULK1 O75385 13/20 0.45
ULK2 Q8IYT8 4/20 0.45
FLT3 P36888 4/20 0.42
CHEK1 O14757 3/20 0.42
KIT P10721 3/20 0.42
AURKA O14965 1/20 0.42
NTRK1 P04629 1/20 0.42
CDK1 P06493 1/20 0.42
IGF1R P08069 1/20 0.42
EPHA1 P21709 1/20 0.42
CDK2 P24941 1/20 0.42
BMX P51813 1/20 0.42
JAK3 P52333 1/20 0.42
CDK6 Q00534 1/20 0.42
PAK1 Q13153 1/20 0.42
ALK Q9UM73 1/20 0.42

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
SCHEMBL3497272 0.92 PRKCQ (0.55) PRKCQULK1ULK2FLT3CHEK1
SCHEMBL3493962 0.90 PRKCQ (0.55) PRKCQULK1ULK2FLT3CHEK1
SCHEMBL3495520 0.89 PRKCQ (0.56) PRKCQSTK17AFLT3CHEK1KIT
SCHEMBL3493683 0.88 PRKCQ (0.57) PRKCQSTK17AFLT3CHEK1KIT
SCHEMBL3495568 0.88 PRKCQ (0.56) PRKCQAURKABMX
SCHEMBL3494060 0.87 PRKCQ (0.57) PRKCQULK1ULK2FLT3KIT
SCHEMBL3495333 0.87 PRKCQ (0.53) PRKCQSTK17ASTK17BULK1ULK2
SCHEMBL3496389 0.87 PRKCQ (0.54) PRKCQSTK17AAURKA
SCHEMBL3495812 0.86 PRKCQ (0.51) PRKCQULK1ULK2CHEK1
SCHEMBL3496589 0.86 PRKCQ (0.50) PRKCQSTK17AULK1ULK2FLT3

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 PRKCQ 3/4885STK17A 117/4885STK17B 108/4885

“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.