SCHEMBL3493784

SCHEMBL3493784

CN1C(C)(C)CC(Nc2nc(Nc3ccc(C#N)c(Cl)c3)ncc2Cl)CC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.45
JAK1 P23458 12/20 0.45
TYK2 P29597 3/20 0.43
JAK3 P52333 3/20 0.43
ALK Q9UM73 2/20 0.43
INSR P06213 1/20 0.43
PRKCQ Q04759 1/20 0.42
CSNK2A2 P19784 2/20 0.41
CSNK2A1 P68400 2/20 0.41
PAK1 Q13153 1/20 0.40
AURKA O14965 1/20 0.40
FLT3 P36888 1/20 0.40
IGF1R P08069 1/20 0.40
EGFR P00533 1/20 0.39

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
SCHEMBL3496633 0.93 PRKCQ (0.43) JAK2JAK1PRKCQCSNK2A2CSNK2A1
SCHEMBL3495099 0.92 JAK2 (0.45) JAK2JAK1TYK2JAK3ALK
SCHEMBL3497242 0.92 PRKCQ (0.52) JAK2JAK1PRKCQCSNK2A2CSNK2A1
SCHEMBL3495670 0.91 JAK1 (0.44) JAK2JAK1TYK2JAK3ALK
SCHEMBL3497098 0.90 PRKCQ (0.46) JAK2JAK1TYK2JAK3ALK
SCHEMBL3496433 0.89 ULK1 (0.49)
SCHEMBL3496178 0.87 PAK1 (0.45) JAK2JAK1TYK2JAK3ALK
SCHEMBL3496551 0.87 PAK1 (0.57) JAK2JAK3ALKPRKCQPAK1
SCHEMBL3496354 0.84 BCL6 (0.49) PRKCQFLT3EGFR
SCHEMBL3495391 0.84 PRKCQ (0.52) JAK2JAK1PRKCQCSNK2A2CSNK2A1

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 JAK2 268/4885JAK1 292/4885TYK2 541/4885

“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.