SCHEMBL3495644

SCHEMBL3495644

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.55
PRKCQ Q04759 2/20 0.52
JAK2 O60674 3/20 0.46
JAK1 P23458 3/20 0.46
JAK3 P52333 3/20 0.46
CYP3A4 P08684 2/20 0.46
TYK2 P29597 1/20 0.45
PTK2 Q05397 3/20 0.43
AURKA O14965 2/20 0.43
KDR P35968 2/20 0.43
AURKB Q96GD4 2/20 0.43
FYN P06241 1/20 0.43
ULK1 O75385 2/20 0.42
ULK2 Q8IYT8 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
SCHEMBL3494741 0.89 PTK2 (0.53) BRD4PRKCQPTK2AURKAKDR
SCHEMBL3494068 0.89 PRKCQ (0.62) BRD4PRKCQJAK2JAK1JAK3
SCHEMBL3494481 0.88 PRKCQ (0.63) BRD4PRKCQJAK2JAK1JAK3
SCHEMBL3494857 0.85 PRKCQ (0.50) BRD4PRKCQJAK2JAK1JAK3
SCHEMBL3496651 0.84 BCL6 (0.52) BRD4PRKCQULK1ULK2
SCHEMBL3494249 0.83 PRKCQ (0.65) BRD4PRKCQJAK2JAK1JAK3
SCHEMBL3497332 0.83 PRKCQ (0.56) BRD4PRKCQJAK2JAK1JAK3
SCHEMBL3496305 0.81 PRKCQ (0.60) BRD4PRKCQKDRAURKBULK1
SCHEMBL19654369 0.81 ULK1 (0.53) BRD4JAK2JAK1JAK3CYP3A4
SCHEMBL3495063 0.78 ULK1 (0.54) BRD4PRKCQPTK2AURKAKDR

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 BRD4 1173/4885PRKCQ 3/4885JAK2 268/4885

“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.