SCHEMBL3494741

SCHEMBL3494741

COc1cc(Nc2ncc(Br)c(NC3CC(C)(C)N(C)C(C)(C)C3)n2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 2/20 0.53
PRKCQ Q04759 1/20 0.49
ULK1 O75385 6/20 0.48
BRD4 O60885 3/20 0.45
ALK Q9UM73 2/20 0.43
CDK19 Q9BWU1 1/20 0.43
ULK2 Q8IYT8 2/20 0.42
PRKAA2 P54646 1/20 0.42
PRKAA1 Q13131 1/20 0.42
FYN P06241 1/20 0.42
KDR P35968 3/20 0.42
AURKA O14965 2/20 0.42
AURKB Q96GD4 2/20 0.42
PLK1 P53350 1/20 0.41
RET P07949 1/20 0.40
KIF5B P33176 1/20 0.40
ETV6 P41212 1/20 0.40
KCNH2 Q12809 1/20 0.40
CCDC6 Q16204 1/20 0.40
PDGFRB P09619 1/20 0.40

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
SCHEMBL3495063 0.89 ULK1 (0.54) PTK2PRKCQULK1BRD4ALK
SCHEMBL3495644 0.89 BRD4 (0.55) PTK2PRKCQULK1BRD4ULK2
SCHEMBL3494068 0.88 PRKCQ (0.62) PTK2PRKCQULK1BRD4ALK
SCHEMBL3496953 0.88 PRKCQ (0.59) PTK2PRKCQULK1BRD4ALK
SCHEMBL17544506 0.85 PTK2 (0.61) PTK2ULK1BRD4ALKCDK19
SCHEMBL3495182 0.82 ULK1 (0.56) PTK2PRKCQULK1BRD4ALK
SCHEMBL3497332 0.82 PRKCQ (0.56) PTK2PRKCQULK1BRD4ALK
SCHEMBL3496305 0.81 PRKCQ (0.60) PRKCQULK1BRD4ULK2KDR
SCHEMBL19654368 0.79 PTK2 (0.54) PTK2ULK1BRD4ALKCDK19
SCHEMBL3495924 0.79 PRKCQ (0.59) PRKCQULK1ALKULK2AURKA

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 PTK2 513/4885PRKCQ 3/4885ULK1 832/4885

“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.