SCHEMBL3494040

SCHEMBL3494040

CN1C(C)(C)CC(Nc2nc(Nc3ccc(N4CCN(S(C)(=O)=O)CC4)c(C#N)c3)ncc2C(F)(F)F)CC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 12/20 0.45
FLT3 P36888 10/20 0.45
KIT P10721 9/20 0.45
ALK Q9UM73 3/20 0.44
ULK1 O75385 3/20 0.42
ULK2 Q8IYT8 1/20 0.42
SYK P43405 2/20 0.42
JAK3 P52333 2/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
AURKA O14965 2/20 0.42
CDK2 P24941 2/20 0.42
RPS6KA5 O75582 1/20 0.42
RPS6KA4 O75676 1/20 0.42
RPS6KB1 P23443 1/20 0.42
RPS6KA3 P51812 1/20 0.42
RPS6KA2 Q15349 1/20 0.42
RPS6KA1 Q15418 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
RPS6KB2 Q9UBS0 1/20 0.42

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
SCHEMBL1741098 0.92 BRD4 (0.46) CHEK1FLT3KITALKSYK
SCHEMBL1743374 0.92 BRD4 (0.49) CHEK1FLT3KITALKULK1
SCHEMBL3495839 0.91 SYK (0.45) FLT3ALKSYKJAK3JAK2
SCHEMBL3496128 0.91 CHEK1 (0.48) CHEK1FLT3KITULK1ULK2
SCHEMBL1741120 0.90 PRKCQ (0.46) CHEK1FLT3KITALKSYK
SCHEMBL1743522 0.90 BRD4 (0.46) CHEK1FLT3KITALKULK1
SCHEMBL3496877 0.89 JAK2 (0.48) FLT3ALKSYKJAK3JAK2
SCHEMBL13248985 0.87 SYK (0.42) SYKJAK3JAK2JAK1PAK1
SCHEMBL13248972 0.87 SYK (0.42) SYKJAK3JAK2JAK1PAK1
SCHEMBL1741976 0.86 BRD4 (0.48) CHEK1FLT3KITALKSYK

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 CHEK1 184/4885FLT3 172/4885KIT 378/4885

“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.