SCHEMBL2985443

SCHEMBL2985443

CC1(C)C(=O)NC(=O)N1CCNc1ncc(-c2cccc(C#N)c2)c(-c2ccc(S(=O)(=O)c3ccc(F)cc3)s2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 3/20 0.36
CASP1 P29466 3/20 0.36
CASP7 P55210 3/20 0.36
HSD17B10 Q99714 3/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 2/20 0.36
GLA P06280 2/20 0.36
CYP2D6 P10635 2/20 0.36
KMT2A Q03164 2/20 0.36
HIF1A Q16665 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGS2 P35354 2/20 0.34
CLK4 Q9HAZ1 1/20 0.34
NAMPT P43490 2/20 0.32
MAPK1 P28482 1/20 0.32
SCN9A Q15858 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL2979550 0.90 RAF1 (0.37) PTGS2PLK2
SCHEMBL3175471 0.86 PTGS2 (0.33) PTGS2PLK2
SCHEMBL2975947 0.84 BRAF (0.36) PTGS2
SCHEMBL2987614 0.83 ADORA1 (0.36) PTGS2PIK3CA
SCHEMBL2985533 0.83 ADORA1 (0.36)
SCHEMBL2976262 0.82 RAF1 (0.37) USP2ALDH1A1CYP3A4CASP1CASP7
SCHEMBL2988097 0.82 PTGS2 (0.32) USP2ALDH1A1CASP1CASP7HSD17B10
SCHEMBL2980447 0.81 PTGS2 (0.31) PTGS2PLK2
SCHEMBL2986461 0.81 CASP1 (0.40) USP2ALDH1A1CYP3A4CASP1CASP7
SCHEMBL2988648 0.78 HTR6 (0.33) PIK3CA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831207-B1 AMINOPYRIMIDINE COMPOUNDS AS PLK INHIBITORS AMGEN INC (US) 2012-11-14 EP disclosed
US-7858785-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-12-28 US disclosed
US-7786132-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-08-31 US disclosed
US-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-01-14 US disclosed
EP-1831207-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-09-12 EP disclosed
US-20070185133-A1 Aminopyrimidine compounds and methods of use AMGEN, INC. (US) 2007-08-09 US disclosed
WO-2006066172-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-06-22 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 (2 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-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PLK1, TYMP, TK2 USP2 3167/4885ALDH1A1 1565/4885CYP3A4 4506/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 USP2 3167/4885ALDH1A1 1565/4885CYP3A4 4506/4885

“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.