SCHEMBL3496111

SCHEMBL3496111

CC(=O)N1C(C)(C)CC(Nc2nc(Nc3cccc(C#N)c3)ncc2F)CC1(C)C

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.58
EGFR P00533 5/20 0.55
BTK Q06187 4/20 0.55
ITK Q08881 2/20 0.46
CCNT1 O60563 3/20 0.46
CCNE1 P24864 3/20 0.46
CDK2 P24941 3/20 0.46
CDK9 P50750 3/20 0.46
PRKCQ Q04759 1/20 0.43
ZAP70 P43403 1/20 0.43
CDC7 O00311 1/20 0.42
JAK3 P52333 1/20 0.42
MAOB P27338 1/20 0.42
GRM5 P41594 1/20 0.42
AURKA O14965 1/20 0.41

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 0.88 SYK (0.64) SYKEGFRBTKITKPRKCQ
SCHEMBL3495077 0.84 SYK (0.65) SYKEGFRBTKITKCDC7
SCHEMBL3495467 0.79 SYK (0.57) SYKZAP70JAK3
SCHEMBL3496184 0.79 SYK (0.66) SYKEGFRBTKITKCCNT1
SCHEMBL3495275 0.79 BCL6 (0.56) SYKEGFRPRKCQ
SCHEMBL3494922 0.78 SYK (0.51) SYKEGFRBTKPRKCQCDC7
SCHEMBL13253014 0.78 SYK (0.64) SYKEGFRBTKITKCCNT1
SCHEMBL1741862 0.78 SYK (0.64) SYKEGFRBTKITKCCNT1
SCHEMBL3497975 0.77 SYK (0.61) SYKEGFRBTKPRKCQMAOB
SCHEMBL3494065 0.76 SYK (0.61) SYKPRKCQAURKA

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 460/4885EGFR 1181/4885BTK 97/4885

“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.