SCHEMBL2981806

SCHEMBL2981806

CC1(Cc2ccccc2)C(=O)NC(=O)N1CCNc1ncc(Br)c(-c2cc3ccccc3s2)n1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.32
PIK3CD O00329 2/20 0.31
PIK3R1 P27986 1/20 0.31
CNR2 P34972 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
PRKDC P78527 1/20 0.31
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
IGF1R P08069 2/20 0.30
INSR P06213 1/20 0.30
FGFR1 P11362 1/20 0.30
KDR P35968 1/20 0.30
IKBKB O14920 1/20 0.30
CCNC P24863 1/20 0.30
CDK8 P49336 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
SCHEMBL2974918 0.91 JAK2 (0.33) MERTKPIK3CDPIK3R1CNR2PIK3CA
SCHEMBL2986280 0.89 PRKD3 (0.33) MERTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2975235 0.88 MERTK (0.34) MERTKPIK3CDPIK3R1CNR2PIK3CA
SCHEMBL2986348 0.84 PIP5K1C (0.36) MERTKPIK3CDPIK3R1IKBKBCCNC
SCHEMBL2990338 0.84 PIP5K1C (0.37) MERTKPIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL2986516 0.84 CCNC (0.34) MERTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2980877 0.83 PIP5K1C (0.35) MERTKIKBKBCCNCCDK8
SCHEMBL5183786 0.83 USP2 (0.33) MERTKPIK3CDPIK3R1CNR2PIK3CA
SCHEMBL2982366 0.81 MERTK (0.34) MERTKPIK3CDPIK3R1CNR2PIK3CA
SCHEMBL5147380 0.79 ALDH1A1 (0.40) MERTKPIK3CDPIK3R1PIK3CAPIK3CB

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 MERTK 1576/4885PIK3CD 312/4885PIK3R1 848/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 MERTK 1576/4885PIK3CD 312/4885PIK3R1 848/4885

“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.