SCHEMBL3494479

SCHEMBL3494479

CN1C(C)(C)CC(Nc2nc(Nc3ccc4ncccc4c3)ncc2F)CC1(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 3/20 0.56
ULK2 Q8IYT8 1/20 0.56
PRKCQ Q04759 2/20 0.53
SYK P43405 5/20 0.52
EGFR P00533 4/20 0.48
PIK3CD O00329 2/20 0.46
PIK3CA P42336 2/20 0.46
PIK3CB P42338 2/20 0.46
PIK3CG P48736 2/20 0.46
MAPK7 Q13164 1/20 0.42
AURKA O14965 1/20 0.40
BTK Q06187 1/20 0.40
CDK1 P06493 1/20 0.40
ITK Q08881 1/20 0.40
ERBB2 P04626 1/20 0.40
ERBB4 Q15303 1/20 0.40
CCNT1 O60563 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 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
SCHEMBL3495022 0.87 PRKCQ (0.55) ULK1ULK2PRKCQSYKEGFR
SCHEMBL3495899 0.85 PRKCQ (0.59) PRKCQSYKEGFRAURKABTK
SCHEMBL3494878 0.83 PRKCQ (0.54) PRKCQSYKEGFRAURKABTK
SCHEMBL3497165 0.83 SYK (0.60) PRKCQSYKEGFR
SCHEMBL3495485 0.83 PRKCQ (0.53) PRKCQSYKEGFRAURKABTK
SCHEMBL3495520 0.82 PRKCQ (0.56) PRKCQSYKEGFRAURKABTK
SCHEMBL3496315 0.82 PRKCQ (0.56) ULK1PRKCQSYKEGFRERBB2
SCHEMBL3495845 0.82 PRKCQ (0.56) PRKCQSYKEGFRAURKABTK
SCHEMBL3495568 0.82 PRKCQ (0.56) PRKCQSYKEGFRAURKABTK
SCHEMBL3496849 0.82 PRKCQ (0.55) PRKCQSYKEGFRAURKABTK

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 ULK1 832/4885ULK2 407/4885PRKCQ 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.