SCHEMBL3494147

SCHEMBL3494147

CN1CCN(c2cccc(Nc3ncc(F)c(NC4CC(C)(C)N(C)C(C)(C)C4)n3)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 1/20 0.56
CCNT1 O60563 5/20 0.55
CDK2 P24941 5/20 0.55
CDK9 P50750 5/20 0.55
CDK1 P06493 3/20 0.55
CCNB1 P14635 3/20 0.55
CCNA2 P20248 3/20 0.55
CDK7 P50613 3/20 0.55
CCNH P51946 3/20 0.55
CCNE1 P24864 2/20 0.55
CTSC P53634 2/20 0.53
NTRK1 P04629 1/20 0.53
NTRK3 Q16288 1/20 0.53
NTRK2 Q16620 1/20 0.53
BRD4 O60885 4/20 0.51
JAK2 O60674 2/20 0.51
JAK1 P23458 2/20 0.51
JAK3 P52333 1/20 0.51
EGFR P00533 2/20 0.49
PTK2 Q05397 1/20 0.47

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
SCHEMBL3495394 0.89 BRD4 (0.59) PRKCQCDK2CDK9CCNA2NTRK1
SCHEMBL3496976 0.86 FLT3 (0.55) PRKCQCDK2CDK1CDK7NTRK2
SCHEMBL3495578 0.85 PRKCQ (0.55) PRKCQCCNT1CDK2CDK9CDK1
SCHEMBL1743511 0.85 BRD4 (0.52) PRKCQCDK2CDK1CDK7NTRK2
SCHEMBL3494050 0.85 TNK2 (0.62) PRKCQCDK2CDK1CDK7NTRK2
SCHEMBL3496736 0.84 PRKCQ (0.55) PRKCQCCNT1CDK2CDK9CDK1
SCHEMBL3495826 0.84 BRD4 (0.51) PRKCQCDK2CDK1CDK7NTRK2
SCHEMBL1742235 0.84 PRKCQ (0.59) PRKCQCCNT1CDK2CDK9CCNE1
SCHEMBL3496950 0.84 KDR (0.61) PRKCQCCNT1CDK2CDK9CCNE1
SCHEMBL3494065 0.84 SYK (0.61) PRKCQSYK

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-7452879-B2 N4-(1-tert-Butoxycarbonylazetidin-3-yl)-5-fluoro-N2-(4-morpholinophenyl)-2,4-pyrimidinediamine; signal transduction cascade inhibitor; Fc receptors for IgE (\"Fc epsilon RI\") and IgG (\"Fc gamma RI\") antagonist; autoimmune diseases, antiinflammatory agent; rheumatoid arthritis, multiple sclerosis RIGEL PHARMACEUTICALS, INC. (US) 2008-11-18 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 PRKCQ 3/4885CCNT1 1269/4885CDK2 129/4885

“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.