SCHEMBL2988097

SCHEMBL2988097

CC1(C)C(=O)NC(=O)N1CCNc1ncc(Br)c(-c2ccc(S(=O)(=O)c3ccc(F)cc3)s2)n1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.32
PLK2 Q9NYY3 2/20 0.31
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
GLA P06280 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
KMT2A Q03164 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL2980527 0.92 MRGPRX1 (0.33) PTGS2USP2ALDH1A1CYP1A2GLA
SCHEMBL2989836 0.92 LOXL2 (0.30)
SCHEMBL2988648 0.91 HTR6 (0.33)
SCHEMBL2980447 0.90 PTGS2 (0.31) PTGS2PLK2
SCHEMBL5149061 0.86 PLA2G7 (0.38) PTGS2ALDH1A1
SCHEMBL2983034 0.85 AKT3 (0.36)
SCHEMBL2986572 0.85 MAOA (0.35)
SCHEMBL2979550 0.84 RAF1 (0.37) PTGS2PLK2
SCHEMBL2985443 0.82 USP2 (0.36) PTGS2PLK2MEN1USP2ALDH1A1
SCHEMBL2975829 0.81 ALDH1A1 (0.46) ALDH1A1

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 PTGS2 2029/4885PLK2 27/4885MEN1 3920/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 PTGS2 2029/4885PLK2 27/4885MEN1 3920/4885

“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.