SCHEMBL2985048

SCHEMBL2985048

O=C1NCCN1CCNc1ncc(-c2cccc3cccnc23)c(-c2ccc(S(=O)(=O)N3CCCCC3)s2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ALOX15 P16050 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
OPRK1 P41145 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RAF1 P04049 1/20 0.35
IRAK1 P51617 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
FABP1 P07148 5/20 0.34
SCN9A Q15858 1/20 0.34
CNR2 P34972 1/20 0.33
TSHR P16473 1/20 0.33
CNR1 P21554 2/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
S100A4 P26447 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
SCHEMBL2980545 0.87 SCN9A (0.41) BRAFALDH1A1RAF1IRAK1IRAK4
SCHEMBL2988258 0.86 BRAF (0.37) BRAFL3MBTL1USP2ALDH1A1OPRK1
SCHEMBL2988141 0.85 IRAK1 (0.39) BRAFTDP1RAF1IRAK1IRAK4
SCHEMBL2987012 0.84 IRAK1 (0.39) BRAFRAF1IRAK1IRAK4SCN9A
SCHEMBL2972060 0.84 IRAK1 (0.39) BRAFRAF1IRAK1IRAK4SCN9A
SCHEMBL2975039 0.84 RECQL (0.38) BRAFL3MBTL1ALDH1A1HTTTDP1
SCHEMBL2980398 0.83 IRAK1 (0.40) BRAFRAF1IRAK1IRAK4SCN9A
SCHEMBL2985444 0.83 IRAK1 (0.40) BRAFUSP2ALDH1A1RAF1IRAK1
SCHEMBL2983801 0.83 IRAK1 (0.40) BRAFL3MBTL1ALOX15RAF1IRAK1
SCHEMBL2980451 0.82 MAP3K11 (0.37) BRAFRAF1IRAK1IRAK4SCN9A

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 BRAF 841/4885L3MBTL1 1287/4885ALOX15 1377/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 BRAF 841/4885L3MBTL1 1287/4885ALOX15 1377/4885

“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.