SCHEMBL3496953

SCHEMBL3496953

COc1cc(Nc2ncc(Br)c(NC3CC(C)(C)N(C)C(C)(C)C3)n2)cc(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.59
IGF1R P08069 6/20 0.52
BRD4 O60885 1/20 0.43
ULK1 O75385 1/20 0.42
ULK2 Q8IYT8 1/20 0.42
CDK19 Q9BWU1 1/20 0.42
ALK Q9UM73 1/20 0.42
CHEK1 O14757 1/20 0.41
NTRK2 Q16620 1/20 0.41
AURKA O14965 2/20 0.40
AURKB Q96GD4 2/20 0.40
SYK P43405 2/20 0.40
TYRO3 Q06418 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
AXL P30530 1/20 0.39
MERTK Q12866 1/20 0.39
PTK2 Q05397 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
SCHEMBL3496305 0.88 PRKCQ (0.60) PRKCQIGF1RBRD4ULK1ULK2
SCHEMBL3494481 0.88 PRKCQ (0.63) PRKCQIGF1RBRD4ULK1ULK2
SCHEMBL3494741 0.88 PTK2 (0.53) PRKCQBRD4ULK1ULK2CDK19
SCHEMBL3495607 0.88 PRKCQ (0.59) PRKCQBRD4ULK1ULK2ALK
SCHEMBL3492920 0.88 PRKCQ (0.75) PRKCQBRD4ULK1ULK2AURKA
SCHEMBL3495063 0.85 ULK1 (0.54) PRKCQBRD4ULK1ULK2CDK19
SCHEMBL3494403 0.85 PRKCQ (0.57) PRKCQIGF1RBRD4ULK1ULK2
SCHEMBL3496516 0.85 PRKCQ (0.57) PRKCQIGF1RBRD4ULK1ULK2
SCHEMBL3496345 0.85 ULK1 (0.62) PRKCQULK1ULK2FLT3
SCHEMBL3493830 0.83 PRKCQ (0.71) PRKCQBRD4ULK1ULK2AURKA

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 5 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
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 3/4885IGF1R 3555/4885BRD4 1173/4885

“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.