SCHEMBL3496180

SCHEMBL3496180

CN1C(C)(C)CC(Nc2nc(Nc3ccc(-n4ccc(C#N)c4)cc3)ncc2Cl)CC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 13/20 0.47
JAK2 O60674 13/20 0.47
IGF1R P08069 1/20 0.41
TYK2 P29597 4/20 0.40
JAK3 P52333 4/20 0.40
PRKCQ Q04759 1/20 0.40
ALK Q9UM73 3/20 0.39
CDK19 Q9BWU1 1/20 0.39
AURKA O14965 3/20 0.39
FLT3 P36888 2/20 0.39
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38

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
SCHEMBL3495590 0.91 AURKA (0.41) JAK1JAK2IGF1RJAK3PRKCQ
SCHEMBL3496244 0.90 PRKCQ (0.50) JAK1JAK2PRKCQAURKA
SCHEMBL3496483 0.88 CHEK1 (0.48) IGF1RJAK3ALKAURKAFLT3
SCHEMBL3495099 0.81 JAK2 (0.45) JAK1JAK2IGF1RTYK2JAK3
SCHEMBL3493784 0.81 JAK2 (0.45) JAK1JAK2IGF1RTYK2JAK3
SCHEMBL3496178 0.79 PAK1 (0.45) JAK1JAK2TYK2JAK3PRKCQ
SCHEMBL3495670 0.79 JAK1 (0.44) JAK1JAK2TYK2JAK3PRKCQ
SCHEMBL3497098 0.79 PRKCQ (0.46) JAK1JAK2TYK2JAK3PRKCQ
SCHEMBL3496552 0.78 ALK (0.46) JAK1JAK2ALK
SCHEMBL3497975 0.78 SYK (0.61) JAK1JAK2PRKCQAURKA

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 JAK1 292/4885JAK2 268/4885IGF1R 3555/4885

“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.