SCHEMBL3494982

SCHEMBL3494982

CN1C(C)(C)CC(Nc2nc(Nc3cccc(C(N)=O)c3)ncc2F)CC1(C)C

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.56
CDK19 Q9BWU1 1/20 0.52
ALK Q9UM73 1/20 0.52
CCNT1 O60563 3/20 0.52
CCNE1 P24864 3/20 0.52
CDK2 P24941 3/20 0.52
CDK9 P50750 3/20 0.52
PRKCQ Q04759 1/20 0.52
AURKA O14965 4/20 0.49
JAK2 O60674 1/20 0.49
AURKB Q96GD4 1/20 0.49
EGFR P00533 4/20 0.48
ITK Q08881 2/20 0.48
BTK Q06187 2/20 0.47
MAP3K7 O43318 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
IGF1R P08069 1/20 0.45

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
SCHEMBL3496536 0.89 AURKA (0.58) SYKPRKCQAURKAJAK2AURKB
SCHEMBL3494065 0.86 SYK (0.61) SYKCDK19PRKCQAURKAAURKB
SCHEMBL3496950 0.84 KDR (0.61) SYKCCNT1CCNE1CDK2CDK9
SCHEMBL3495796 0.84 CDK2 (0.58) CCNT1CCNE1CDK2CDK9PRKCQ
SCHEMBL3495225 0.83 PRKCQ (0.53) SYKCCNT1CCNE1CDK2CDK9
SCHEMBL3495564 0.82 PRKCQ (0.49) SYKCCNT1CCNE1CDK2CDK9
SCHEMBL3497176 0.82 AURKA (0.61) PRKCQAURKAAURKBEGFRBTK
SCHEMBL3495332 0.82 PRKCQ (0.58) SYKCCNT1CCNE1CDK2CDK9
SCHEMBL3494985 0.82 PRKCQ (0.51) SYKCCNT1CCNE1CDK2CDK9
SCHEMBL3495899 0.81 PRKCQ (0.59) SYKALKCCNT1CCNE1CDK2

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 SYK 460/4885CDK19 473/4885ALK 582/4885

“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.