SCHEMBL3496408

SCHEMBL3496408

COc1ccc(Nc2ncc(Cl)c(NC3CC(C)(C)N(C)C(C)(C)C3)n2)cc1OC(F)F

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.51
ULK1 O75385 1/20 0.49
ULK2 Q8IYT8 1/20 0.49
ALK Q9UM73 5/20 0.46
PRKCQ Q04759 1/20 0.46
BCL6 P41182 2/20 0.45
INSR P06213 1/20 0.43
STK17B O94768 1/20 0.42
STK17A Q9UEE5 1/20 0.42
AXL P30530 1/20 0.42
TYRO3 Q06418 1/20 0.42
MERTK Q12866 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
SCHEMBL1741121 0.90 PRKCQ (0.57) BRD4ULK1ULK2ALKPRKCQ
SCHEMBL3496523 0.88 STK17B (0.54) BRD4ULK1ULK2ALKPRKCQ
SCHEMBL3496821 0.88 ULK1 (0.66) BRD4ULK1ULK2PRKCQ
SCHEMBL3496529 0.87 ULK1 (0.47) BRD4ULK1ULK2PRKCQ
SCHEMBL3496207 0.86 PRKCQ (0.55) ULK1ULK2ALKPRKCQBCL6
SCHEMBL3494008 0.83 PRKCQ (0.57) BRD4ULK1ULK2ALKPRKCQ
SCHEMBL3494648 0.83 PRKCQ (0.61) BRD4ULK1ULK2ALKPRKCQ
SCHEMBL3495051 0.82 BCL6 (0.63) BRD4ULK1ULK2PRKCQBCL6
SCHEMBL1742536 0.82 PRKCQ (0.51) BRD4ULK1ULK2ALKPRKCQ
SCHEMBL3496651 0.81 BCL6 (0.52) BRD4ULK1ULK2PRKCQBCL6

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 BRD4 1173/4885ULK1 832/4885ULK2 407/4885

“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.