SCHEMBL3495597

SCHEMBL3495597

CC1(C)CC(Nc2nc(Nc3cnc4c(c3)OC(C)(C)C(=O)N4CCF)ncc2-c2cccc(C#N)c2)CC(C)(C)N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.37
MAP3K7 O43318 1/20 0.37
MEN1 O00255 4/20 0.36
USP2 O75604 4/20 0.36
KMT2A Q03164 4/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2D6 P10635 3/20 0.36
CASP1 P29466 3/20 0.36
CYP3A4 P08684 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CASP7 P55210 2/20 0.36
TSHR P16473 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
CHEK1 O14757 7/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL3495507 0.93 CYP1A2 (0.43) IRAK4MAP3K7MEN1USP2KMT2A
SCHEMBL3495108 0.88 IRAK4 (0.37) IRAK4MAP3K7SYKTYRO3MERTK
SCHEMBL3495247 0.86 CYP1A2 (0.44) IRAK4MAP3K7MEN1USP2KMT2A
SCHEMBL3495678 0.82 SYK (0.35) MEN1USP2KMT2ACYP1A2CASP1
SCHEMBL3496746 0.81 SYK (0.38) IRAK4MAP3K7MEN1USP2KMT2A
SCHEMBL3495592 0.80 PRKCQ (0.36) SYKKDR
SCHEMBL3497097 0.77 PRKCQ (0.37) CLK4CHEK1JAK3SYKKDR
SCHEMBL3495675 0.77 SYK (0.37) SYKBRD4MAP4K1KDR
SCHEMBL3496133 0.76 CYP1A2 (0.42) IRAK4MAP3K7MEN1USP2KMT2A
SCHEMBL3495095 0.76 CYP1A2 (0.38) MEN1USP2KMT2ACYP1A2CYP2D6

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 IRAK4 1103/4885MAP3K7 50/4885MEN1 2409/4885

“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.