SCHEMBL2986348

SCHEMBL2986348

O=C1NC(=O)C2(CCCC2)N1CCNc1ncc(Br)c(-c2cc3ccccc3s2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP5K1C O60331 1/20 0.36
CCNC P24863 2/20 0.34
CDK8 P49336 2/20 0.34
CYP3A4 P08684 2/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
PRKCQ Q04759 1/20 0.34
KCNH2 Q12809 1/20 0.34
MERTK Q12866 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
SIGMAR1 Q99720 8/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
THPO P40225 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
SCHEMBL2980877 0.99 PIP5K1C (0.35) PIP5K1CCCNCCDK8CYP3A4GSK3A
SCHEMBL2990338 0.98 PIP5K1C (0.37) PIP5K1CCCNCCDK8CYP3A4GSK3A
SCHEMBL2986516 0.93 CCNC (0.34) PIP5K1CCCNCCDK8CYP3A4GSK3A
SCHEMBL2975235 0.87 MERTK (0.34) PIP5K1CCCNCCDK8CYP3A4GSK3A
SCHEMBL2974918 0.84 JAK2 (0.33) CCNCCDK8CYP3A4GSK3AGSK3B
SCHEMBL2981806 0.84 MERTK (0.32) CCNCCDK8MERTKIKBKBPIK3CD
SCHEMBL2986280 0.82 PRKD3 (0.33) CCNCCDK8PRKCQMERTKIKBKB
SCHEMBL2982366 0.82 MERTK (0.34) CCNCCDK8CYP3A4GSK3AGSK3B
SCHEMBL5149156 0.79 MERTK (0.35) PIP5K1CCCNCCDK8CYP3A4GSK3A
SCHEMBL2986555 0.79 SCN9A (0.37) CCNCCDK8CYP3A4GSK3AGSK3B

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 PIP5K1C 190/4885CCNC 76/4885CDK8 56/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 PIP5K1C 190/4885CCNC 76/4885CDK8 56/4885

“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.