SCHEMBL3497205

SCHEMBL3497205

COc1cnc(Nc2ccc3c(c2)OCCO3)nc1NC1CC(C)(C)N(C)C(C)(C)C1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 5/20 0.52
SYK P43405 6/20 0.51
PRKCQ Q04759 1/20 0.47
BRD4 O60885 2/20 0.47
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.45
STK17A Q9UEE5 2/20 0.44
ULK2 Q8IYT8 1/20 0.43
BMX P51813 1/20 0.43
BTK Q06187 1/20 0.43
STK17B O94768 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
SCHEMBL3494248 0.88 BRD4 (0.58) ULK1SYKPRKCQBRD4MAPT
SCHEMBL3496761 0.87 ULK1 (0.53) ULK1SYKPRKCQBRD4STK17A
SCHEMBL3494882 0.87 SYK (0.62) ULK1SYKPRKCQBRD4BMX
SCHEMBL3496445 0.84 ULK1 (0.51) ULK1SYKPRKCQBRD4STK17A
SCHEMBL3495134 0.84 ULK1 (0.51) ULK1SYKPRKCQBRD4STK17A
SCHEMBL3496386 0.84 SYK (0.58) ULK1SYKPRKCQBMXBTK
SCHEMBL3495757 0.83 ULK1 (0.49) ULK1SYKPRKCQBRD4STK17A
SCHEMBL3496305 0.81 PRKCQ (0.60) ULK1SYKPRKCQBRD4ULK2
SCHEMBL3494055 0.81 ULK1 (0.56) ULK1SYKPRKCQBRD4STK17A
SCHEMBL3647914 0.81 PRKCQ (0.44) ULK1PRKCQBRD4ULK2

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 ULK1 832/4885SYK 460/4885PRKCQ 3/4885

“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.