SCHEMBL3495508

SCHEMBL3495508

CN(c1nc(Nc2cccc(C#N)c2)ncc1F)C1CC(C)(C)N(C)C(C)(C)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.53
CDC7 O00311 1/20 0.44
EGFR P00533 1/20 0.43
BTK Q06187 1/20 0.43
MAOB P27338 1/20 0.41
GRM5 P41594 1/20 0.41
PTK2 Q05397 1/20 0.40
BACE2 Q9Y5Z0 1/20 0.39
IGF1R P08069 1/20 0.39
CNR2 P34972 1/20 0.38
PRKDC P78527 1/20 0.38
MAP4K1 Q92918 1/20 0.38
CDK2 P24941 3/20 0.37
CDK4 P11802 2/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
AURKA O14965 1/20 0.37
TP53 P04637 1/20 0.37
CCNT1 O60563 1/20 0.36
CCNE2 O96020 1/20 0.36

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
SCHEMBL3496522 0.81 SYK (0.64) SYKCDC7EGFRBTKMAOB
SCHEMBL3493428 0.78 BCL6 (0.50) SYKPTK2PRKCQ
SCHEMBL3497049 0.76 AXL (0.48) EGFRCDK4JAK1JAK3
SCHEMBL15769281 0.76 SYK (0.51) SYKCDC7EGFRBTKMAOB
SCHEMBL3496421 0.75 CCNA2 (0.52) CDK2CDK4GSK3BAURKA
SCHEMBL3494922 0.75 SYK (0.51) SYKCDC7EGFRBTKMAOB
SCHEMBL3495843 0.74 PAK1 (0.43) SYKGRM5BACE2PRKCQ
SCHEMBL3494833 0.72 EPHB4 (0.47) SYKCDC7EGFRMAOBGRM5
SCHEMBL3497050 0.72 PAK1 (0.43) SYKEGFRBTKCDK2CDK4
SCHEMBL3495299 0.72 PAK1 (0.44) SYKBACE2PRKCQ

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 SYK 460/4885CDC7 245/4885EGFR 1181/4885

“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.