SCHEMBL3495299

SCHEMBL3495299

Cc1ccc(Nc2ncc(F)c(N(Cc3ccc4ccccc4c3)C3CC(C)(C)N(C)C(C)(C)C3)n2)cc1C#N

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 9/20 0.44
PRKCQ Q04759 3/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
YES1 P07947 1/20 0.44
LYN P07948 1/20 0.44
SRC P12931 1/20 0.44
PAK2 Q13177 1/20 0.44
KDR P35968 1/20 0.37
CTSL P07711 5/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
SYK P43405 1/20 0.35
AXL P30530 1/20 0.33

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
SCHEMBL3495843 0.93 PAK1 (0.43) PAK1PRKCQLCKFYNYES1
SCHEMBL3493863 0.91 PAK1 (0.42) PAK1PRKCQLCKFYNYES1
SCHEMBL3493307 0.89 PAK1 (0.44) PAK1PRKCQLCKFYNYES1
SCHEMBL3495800 0.88 PAK1 (0.39) PAK1PRKCQLCKFYNYES1
SCHEMBL3497128 0.84 SYK (0.43) CTSLSYK
SCHEMBL3494218 0.83 PRKCQ (0.46) PRKCQSYKAXL
SCHEMBL3495674 0.81 CTSL (0.38) PAK1PRKCQLCKFYNYES1
SCHEMBL3495070 0.81 PRKCQ (0.36) PAK1PRKCQKDRSYK
SCHEMBL3497619 0.79 PRKCQ (0.41) PAK1PRKCQLCKFYNYES1
SCHEMBL3496560 0.78 SYK (0.41) PAK1PRKCQLCKFYNYES1

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 PAK1 105/4885PRKCQ 3/4885LCK 136/4885

“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.