SCHEMBL3496470

SCHEMBL3496470

CN1C(C)(C)CC(Nc2nc(Nc3cccc(OC(F)(F)F)c3)ncc2Br)CC1(C)C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.53
CTSC P53634 2/20 0.50
PRKCQ Q04759 1/20 0.47
EGFR P00533 6/20 0.45
ITK Q08881 3/20 0.45
FLT3 P36888 2/20 0.44
IGF1R P08069 2/20 0.43
BTK Q06187 2/20 0.42
GALR2 O43603 1/20 0.41
GALR1 P47211 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
BRAF P15056 1/20 0.41
MAP4K1 Q92918 1/20 0.41

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
SCHEMBL3495877 0.90 SYK (0.65) SYKCTSCPRKCQEGFRITK
SCHEMBL3496874 0.89 CTSC (0.62) SYKCTSCPRKCQEGFRITK
SCHEMBL3494774 0.89 FLT3 (0.55) SYKCTSCPRKCQEGFRFLT3
SCHEMBL3496953 0.81 PRKCQ (0.59) SYKPRKCQFLT3IGF1R
SCHEMBL3494811 0.80 SYK (0.63) SYKCTSCPRKCQEGFRITK
SCHEMBL3495182 0.80 ULK1 (0.56) PRKCQFLT3
SCHEMBL3494246 0.80 PRKCQ (0.53) SYKPRKCQEGFRITKFLT3
SCHEMBL3495332 0.79 PRKCQ (0.58) SYKPRKCQEGFRITKBTK
SCHEMBL3495184 0.79 PRKCQ (0.57) SYKCTSCPRKCQEGFRFLT3
SCHEMBL3495063 0.79 ULK1 (0.54) PRKCQFLT3

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 460/4885CTSC 2841/4885PRKCQ 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.