SCHEMBL3494941

SCHEMBL3494941

COc1cc(Nc2ncc(F)c(NC3CC(C)(C)N(C)C(C)(C)C3)n2)ccc1-n1cccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.56
BCL6 P41182 2/20 0.45
ULK1 O75385 1/20 0.44
ULK2 Q8IYT8 1/20 0.44
EGFR P00533 6/20 0.43
ITK Q08881 3/20 0.43
SYK P43405 3/20 0.42
BTK Q06187 2/20 0.42
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
AURKA O14965 3/20 0.41
AURKB Q96GD4 1/20 0.41
ALK Q9UM73 1/20 0.41
RET P07949 1/20 0.40
KIF5B P33176 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL3494648 0.88 PRKCQ (0.61) PRKCQBCL6ULK1ULK2EGFR
SCHEMBL3495551 0.87 PRKCQ (0.55) PRKCQBCL6EGFRITKSYK
SCHEMBL3495061 0.86 PRKCQ (0.61) PRKCQBCL6ULK1ULK2EGFR
SCHEMBL3494241 0.86 PRKCQ (0.58) PRKCQBCL6ULK1ULK2EGFR
SCHEMBL3496243 0.85 PRKCQ (0.49) PRKCQEGFRITKSYKBTK
SCHEMBL3497082 0.84 PRKCQ (0.74) PRKCQBCL6ULK1ULK2EGFR
SCHEMBL3496203 0.84 PRKCQ (0.57) PRKCQBCL6ULK1ULK2EGFR
SCHEMBL13270167 0.84 PRKCQ (0.57) PRKCQBCL6ULK1ULK2EGFR
SCHEMBL3495051 0.84 BCL6 (0.63) PRKCQBCL6ULK1ULK2SYK
SCHEMBL3495924 0.84 PRKCQ (0.59) PRKCQBCL6ULK1ULK2EGFR

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 3/4885BCL6 3211/4885ULK1 832/4885

“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.