SCHEMBL3496305

SCHEMBL3496305

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.60
BRD4 O60885 1/20 0.44
ULK1 O75385 2/20 0.43
ULK2 Q8IYT8 2/20 0.43
KDR P35968 2/20 0.42
AURKB Q96GD4 1/20 0.42
IGF1R P08069 2/20 0.41
TYRO3 Q06418 3/20 0.41
AXL P30530 2/20 0.41
SYK P43405 3/20 0.40
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
MERTK Q12866 1/20 0.40
EGFR P00533 2/20 0.39
ITK Q08881 2/20 0.39
BCDIN3D Q7Z5W3 1/20 0.39
NUAK1 O60285 1/20 0.38

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
SCHEMBL3494481 0.89 PRKCQ (0.63) PRKCQBRD4ULK1ULK2IGF1R
SCHEMBL3495607 0.88 PRKCQ (0.59) PRKCQBRD4ULK1ULK2EGFR
SCHEMBL3492920 0.88 PRKCQ (0.75) PRKCQBRD4ULK1ULK2AURKB
SCHEMBL3496953 0.88 PRKCQ (0.59) PRKCQBRD4ULK1ULK2KDR
SCHEMBL3493139 0.86 PRKCQ (0.84) PRKCQBRD4ULK1ULK2TYRO3
SCHEMBL3496345 0.86 ULK1 (0.62) PRKCQULK1ULK2EGFR
SCHEMBL3496516 0.86 PRKCQ (0.57) PRKCQBRD4ULK1ULK2IGF1R
SCHEMBL3494403 0.86 PRKCQ (0.57) PRKCQBRD4ULK1ULK2KDR
SCHEMBL3493830 0.84 PRKCQ (0.71) PRKCQBRD4ULK1ULK2AURKB
SCHEMBL3496431 0.83 PRKCQ (0.55) PRKCQBRD4ULK1ULK2IGF1R

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 3/4885BRD4 1173/4885ULK1 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.