SCHEMBL3493779

SCHEMBL3493779

CCOc1ccc(Nc2ncc(F)c(NC3CC(C)(C)NC(C)(C)C3)n2)cc1-n1nnnc1CC

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 5/20 0.47
SYK P43405 3/20 0.40
EGFR P00533 6/20 0.39
ITK Q08881 2/20 0.36
LRRK2 Q5S007 1/20 0.36
ALDH1A1 P00352 1/20 0.36
BCL6 P41182 2/20 0.36
BTK Q06187 2/20 0.35
ULK1 O75385 1/20 0.35
ULK2 Q8IYT8 1/20 0.35
ALK Q9UM73 1/20 0.35

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
SCHEMBL1740425 0.92 PRKCQ (0.46) PRKCQSYKEGFRITKLRRK2
SCHEMBL3494854 0.91 PRKCQ (0.58) PRKCQSYKEGFRITKLRRK2
SCHEMBL3496291 0.89 PRKCQ (0.36) PRKCQSYKLRRK2BTKULK1
SCHEMBL1739947 0.88 PRKCQ (0.49) PRKCQSYKEGFRITKLRRK2
SCHEMBL1741314 0.88 SYK (0.49) SYK
SCHEMBL1739967 0.85 SYK (0.42) PRKCQSYKEGFRITKALDH1A1
SCHEMBL1739933 0.82 PRKCQ (0.36) PRKCQSYKEGFRLRRK2BTK
SCHEMBL1741137 0.82 PRKCQ (0.54) PRKCQSYKEGFRITKLRRK2
SCHEMBL3506017 0.81 SYK (0.43) SYK
SCHEMBL1740448 0.81 PRKCQ (0.60) PRKCQSYKEGFRITKLRRK2

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.