SCHEMBL3496128

SCHEMBL3496128

CN1CCN(c2ccc(Nc3ncc(C(F)(F)F)c(NC4CC(C)(C)N(C)C(C)(C)C4)n3)cc2C#N)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 9/20 0.48
FLT3 P36888 5/20 0.48
KIT P10721 4/20 0.48
EGFR P00533 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
CCNA1 P78396 1/20 0.48
ULK1 O75385 5/20 0.46
ULK2 Q8IYT8 1/20 0.46
BRD4 O60885 1/20 0.46
PAK1 Q13153 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
SCHEMBL3495600 0.91 CCNA2 (0.53) CCNA2CDK2CCNA1BRD4
SCHEMBL3494040 0.91 CHEK1 (0.45) CHEK1FLT3KITCDK2ULK1
SCHEMBL3495081 0.91 CDK4 (0.53) CHEK1FLT3KITEGFRCCNA2
SCHEMBL3494581 0.89 BRD4 (0.53) CHEK1FLT3KITEGFRCCNA2
SCHEMBL3497842 0.89 KDR (0.50) CHEK1FLT3KITEGFRCDK2
SCHEMBL3496481 0.89 ULK1 (0.46) CHEK1FLT3KITCDK2ULK1
SCHEMBL3496551 0.88 PAK1 (0.57) CHEK1FLT3EGFRBRD4PAK1
SCHEMBL3496313 0.88 ULK1 (0.49) CHEK1FLT3KITULK1ULK2
SCHEMBL3494720 0.88 ULK1 (0.49) CHEK1FLT3KITULK1ULK2
SCHEMBL3495452 0.87 ULK1 (0.49) CHEK1FLT3KITULK1ULK2

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.