SCHEMBL2980443

SCHEMBL2980443

Cc1ccc(-c2ccnc(Cl)n2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DKK1 O94907 2/20 0.43
GSK3B P49841 2/20 0.43
IKBKB O14920 1/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.43
HSD17B10 Q99714 2/20 0.43
GFER P55789 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GABRA1 P14867 2/20 0.35
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
NFKB1 P19838 2/20 0.34
CDK2 P24941 2/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 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
SCHEMBL2984079 0.82 ALDH1A1 (0.58) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL2975938 0.81 MEN1 (0.40) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL2975401 0.79 ALDH1A1 (0.41) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL2982444 0.79 MAPT (0.45) ALDH1A1MAPTNPC1HSD17B10MEN1
SCHEMBL1108274 0.79 MEN1 (0.39) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL14216058 0.77 CDK2 (0.54) MAPTNPC1MEN1KMT2AGABRA1
SCHEMBL18171776 0.76 GABRA1 (0.41) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL1098372 0.75 CYP2A6 (0.49) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL2986687 0.75 KDM1A (0.40) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL1098144 0.75 CYP2A6 (0.49) ALDH1A1MAPTMEN1KMT2AL3MBTL1

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 DKK1 1237/4885GSK3B 241/4885IKBKB 1952/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 DKK1 1237/4885GSK3B 241/4885IKBKB 1952/4885

“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.