SCHEMBL2973757

SCHEMBL2973757

CC1(C)C(=O)NC(=O)N1CCNc1ncc(Br)c(-c2cc3cc(OC[C@@H]4CCCN4)ccc3s2)n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.35
CHRNB2 P17787 7/20 0.34
CHRNA4 P43681 7/20 0.34
CHRNA3 P32297 4/20 0.34
AKT1 P31749 1/20 0.33
CHRNB4 P30926 2/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRND Q07001 1/20 0.32
LTA4H P09960 1/20 0.32
PRKCZ Q05513 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
SCHEMBL2973767 1.00 MERTK (0.35) MERTKCHRNB2CHRNA4CHRNA3AKT1
Trifluoroacetic Acid SCHEMBL2985389 0.94 CHRNB2 (0.37) MERTKCHRNB2CHRNA4CHRNA3
SCHEMBL5147304 0.93 MERTK (0.37) MERTK
SCHEMBL5148997 0.91 AURKB (0.36) MERTK
SCHEMBL5182068 0.88 MERTK (0.34) MERTKCHRNB2CHRNA4CHRNA3AKT1
SCHEMBL2987877 0.85 PDE3B (0.31)
SCHEMBL2975336 0.85 CHRNB2 (0.31) CHRNB2CHRNA4
SCHEMBL2973307 0.84 PDE3B (0.41) CHRNB2CHRNA4LTA4H
SCHEMBL2980471 0.84 PDE3B (0.40) LTA4H
SCHEMBL2983048 0.84 HRH3 (0.37)

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 1576/4885CHRNB2 4850/4885CHRNA4 4876/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 MERTK 1576/4885CHRNB2 4850/4885CHRNA4 4876/4885

“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.