SCHEMBL3494853

SCHEMBL3494853

COc1ccc(Nc2ncc(F)c(N(Cc3ccc(-c4ccccc4)cc3)C3CC(C)(C)N(C)C(C)(C)C3)n2)cc1OC(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.36
EGFR P00533 2/20 0.35
ITK Q08881 1/20 0.35
PRKCQ Q04759 2/20 0.35
PAK1 Q13153 1/20 0.35
ULK1 O75385 1/20 0.34
ULK2 Q8IYT8 1/20 0.34
KDR P35968 3/20 0.34
RET P07949 1/20 0.34
KIF5B P33176 1/20 0.34
ETV6 P41212 1/20 0.34
KCNH2 Q12809 1/20 0.34
CCDC6 Q16204 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
JAK3 P52333 1/20 0.34
BTK Q06187 1/20 0.34
MAP4K1 Q92918 1/20 0.34
CDK4 P11802 1/20 0.34
FLT3 P36888 1/20 0.34
BCL6 P41182 1/20 0.34

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
SCHEMBL3494588 0.96 EGFR (0.37) PLK1EGFRITKPRKCQPAK1
SCHEMBL3495070 0.92 PRKCQ (0.36) EGFRITKPRKCQPAK1ULK1
SCHEMBL3495654 0.86 IGF1R (0.34) PLK1EGFRITKPRKCQULK1
SCHEMBL3495963 0.85 PRKCQ (0.46) EGFRPRKCQKDRBTK
SCHEMBL3497246 0.82 SYK (0.43) EGFRULK1BTKCDK4FLT3
SCHEMBL3493863 0.81 PAK1 (0.42) PRKCQPAK1KDRCDK1
SCHEMBL3497178 0.80 PRKCQ (0.48) EGFRPRKCQBTK
SCHEMBL3494218 0.77 PRKCQ (0.46) EGFRPRKCQBTK
SCHEMBL3495296 0.77 SYK (0.46) EGFRULK1BTKFLT3
SCHEMBL3495843 0.76 PAK1 (0.43) PRKCQPAK1KDRCDK1

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 PLK1 91/4885EGFR 1181/4885ITK 1065/4885

“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.