SCHEMBL3496291

SCHEMBL3496291

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 6/20 0.36
PKMYT1 Q99640 2/20 0.36
LRRK2 Q5S007 4/20 0.35
AURKA O14965 2/20 0.35
PTK2 Q05397 2/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35
IGF1R P08069 1/20 0.35
PIM1 P11309 1/20 0.35
FGFR1 P11362 1/20 0.35
PDGFRA P16234 1/20 0.35
PRKACA P17612 1/20 0.35
FLT1 P17948 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
SCHEMBL1739933 0.92 PRKCQ (0.36) PRKCQPKMYT1LRRK2AURKAPTK2
SCHEMBL3496439 0.91 PRKCQ (0.46) PRKCQPKMYT1LRRK2AURKAPTK2
SCHEMBL3493779 0.89 PRKCQ (0.47) PRKCQLRRK2BTKALKSYK
SCHEMBL1740958 0.89 PKMYT1 (0.41) PRKCQPKMYT1LRRK2AURKAPTK2
SCHEMBL1741314 0.86 SYK (0.49) SYK
SCHEMBL1740425 0.81 PRKCQ (0.46) PRKCQLRRK2BTKALKSYK
SCHEMBL3494854 0.80 PRKCQ (0.58) PRKCQLRRK2BTKBRD4SYK
SCHEMBL1739932 0.80 PRKCQ (0.48) PRKCQPKMYT1LRRK2AURKAPTK2
SCHEMBL1740757 0.80 PRKCQ (0.50) PRKCQLRRK2AURKACSNK2A2CSNK2A1
SCHEMBL3506017 0.78 SYK (0.43) SYK

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 3 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

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 3/4885PKMYT1 155/4885LRRK2 311/4885

“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.