SCHEMBL3496345

SCHEMBL3496345

COc1cc(Nc2ncc(C(F)(F)F)c(NC3CC(C)(C)N(C)C(C)(C)C3)n2)cc(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 11/20 0.62
ULK2 Q8IYT8 3/20 0.62
PRKCQ Q04759 2/20 0.59
MAPK3 P27361 1/20 0.48
EGFR P00533 1/20 0.47
FLT3 P36888 5/20 0.47
KIT P10721 1/20 0.45

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
SCHEMBL3495262 0.88 PRKCQ (0.59) ULK1ULK2PRKCQMAPK3EGFR
SCHEMBL3492920 0.87 PRKCQ (0.75) ULK1ULK2PRKCQEGFR
SCHEMBL3495110 0.87 PRKCQ (0.81) ULK1ULK2PRKCQMAPK3EGFR
SCHEMBL3746692 0.87 PRKCQ (0.53) ULK1ULK2PRKCQMAPK3EGFR
SCHEMBL3494481 0.86 PRKCQ (0.63) ULK1ULK2PRKCQ
SCHEMBL3496305 0.86 PRKCQ (0.60) ULK1ULK2PRKCQEGFR
SCHEMBL3495649 0.85 PRKCQ (0.67) ULK1ULK2PRKCQEGFR
SCHEMBL3496953 0.85 PRKCQ (0.59) ULK1ULK2PRKCQFLT3
SCHEMBL3495607 0.85 PRKCQ (0.59) ULK1ULK2PRKCQEGFRFLT3
SCHEMBL3494774 0.84 FLT3 (0.55) ULK1ULK2PRKCQEGFRFLT3

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 7 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
EP-2183225-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2010-05-12 EP claimed
WO-2009012421-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2009-01-22 WO 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 ULK1 832/4885ULK2 407/4885PRKCQ 3/4885

“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.