SCHEMBL2988258

SCHEMBL2988258

O=C1NCCN1CCNc1ncc(-c2ccncc2)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
IRAK1 P51617 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
SCN9A Q15858 1/20 0.36
ADORA1 P30542 3/20 0.35
ADORA2A P29274 2/20 0.35
AXL P30530 2/20 0.35
TYRO3 Q06418 2/20 0.35
MERTK Q12866 2/20 0.35
RAF1 P04049 1/20 0.35
F10 P00742 1/20 0.34
OPRK1 P41145 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
OPRM1 P35372 1/20 0.32
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32
KDM4E B2RXH2 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 0.94 SCN9A (0.41) BRAFIRAK1IRAK4SCN9AADORA1
SCHEMBL2987012 0.89 IRAK1 (0.39) BRAFIRAK1IRAK4SCN9AADORA1
SCHEMBL2988141 0.88 IRAK1 (0.39) BRAFIRAK1IRAK4SCN9AAXL
SCHEMBL2972060 0.87 IRAK1 (0.39) BRAFIRAK1IRAK4SCN9AADORA1
SCHEMBL2975039 0.87 RECQL (0.38) BRAFIRAK1IRAK4SCN9AADORA1
SCHEMBL2980398 0.87 IRAK1 (0.40) BRAFIRAK1IRAK4SCN9AADORA1
SCHEMBL2980451 0.87 MAP3K11 (0.37) BRAFIRAK1IRAK4SCN9AAXL
SCHEMBL2985444 0.86 IRAK1 (0.40) BRAFIRAK1IRAK4SCN9AADORA1
SCHEMBL2983801 0.86 IRAK1 (0.40) BRAFIRAK1IRAK4SCN9AADORA1
SCHEMBL2985048 0.86 BRAF (0.37) BRAFIRAK1IRAK4SCN9ARAF1

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 841/4885IRAK1 2101/4885IRAK4 2705/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 BRAF 841/4885IRAK1 2101/4885IRAK4 2705/4885

“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.