SCHEMBL3495553

SCHEMBL3495553

COc1cccc(Nc2ncc(F)c(NC3CCC(C)(C)N(C)C(C)(C)C3)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.61
SYK P43405 4/20 0.59
EGFR P00533 4/20 0.59
ITK Q08881 3/20 0.59
BTK Q06187 3/20 0.57
AURKA O14965 2/20 0.53
USP2 O75604 6/20 0.48
CYP1A2 P05177 6/20 0.48
CLK4 Q9HAZ1 3/20 0.48
CYP3A4 P08684 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.46
CASP1 P29466 2/20 0.46
CASP7 P55210 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 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
SCHEMBL3496256 0.87 PRKCQ (0.55) PRKCQSYKEGFRITKBTK
SCHEMBL3497111 0.84 BCL6 (0.61) PRKCQSYKEGFRITK
SCHEMBL3492920 0.84 PRKCQ (0.75) PRKCQSYKEGFRITKBTK
SCHEMBL3495332 0.84 PRKCQ (0.58) PRKCQSYKEGFRITKBTK
SCHEMBL3497332 0.84 PRKCQ (0.56) PRKCQSYKEGFRITKBTK
SCHEMBL3495877 0.84 SYK (0.65) PRKCQSYKEGFRITKBTK
SCHEMBL3495533 0.83 ULK1 (0.55) PRKCQEGFRITKAURKACYP3A4
SCHEMBL3493830 0.82 PRKCQ (0.71) PRKCQSYKEGFRITKBTK
SCHEMBL3495479 0.82 PRKCQ (0.53) PRKCQSYKEGFRBTKAURKA
SCHEMBL3496950 0.81 KDR (0.61) PRKCQSYKEGFRITKBTK

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 PRKCQ 3/4885SYK 460/4885EGFR 1181/4885

“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.