SCHEMBL2980451

SCHEMBL2980451

O=C1NCCN1CCNc1ncc(-c2ccc3[nH]ccc3c2)c(-c2ccc(S(=O)(=O)N3CCCCC3)s2)n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 1/20 0.37
BRAF P15056 2/20 0.36
FEN1 P39748 5/20 0.34
ALOX5AP P20292 4/20 0.34
IRAK1 P51617 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
SCN9A Q15858 1/20 0.34
AXL P30530 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
RAF1 P04049 1/20 0.33
PRKDC P78527 1/20 0.33
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
CDK1 P06493 1/20 0.32
KDR P35968 1/20 0.32
EED O75530 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
SCHEMBL3175568 0.89 SCN9A (0.39) MAP3K11BRAFFEN1ALOX5APIRAK1
SCHEMBL27708090 0.87 MAP3K11 (0.34) MAP3K11BRAFIRAK1IRAK4SCN9A
SCHEMBL2988258 0.87 BRAF (0.37) BRAFIRAK1IRAK4SCN9AAXL
SCHEMBL2980545 0.87 SCN9A (0.41) BRAFFEN1ALOX5APIRAK1IRAK4
SCHEMBL2980398 0.86 IRAK1 (0.40) BRAFFEN1ALOX5APIRAK1IRAK4
SCHEMBL2988141 0.86 IRAK1 (0.39) BRAFFEN1ALOX5APIRAK1IRAK4
SCHEMBL2985444 0.85 IRAK1 (0.40) BRAFFEN1ALOX5APIRAK1IRAK4
SCHEMBL2972060 0.85 IRAK1 (0.39) BRAFFEN1ALOX5APIRAK1IRAK4
SCHEMBL2987012 0.85 IRAK1 (0.39) BRAFFEN1ALOX5APIRAK1IRAK4
SCHEMBL2983801 0.84 IRAK1 (0.40) BRAFIRAK1IRAK4SCN9AAXL

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 12 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 claimed
US-7786132-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-08-31 US claimed
EP-1831207-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-09-12 EP claimed
US-20070185133-A1 Aminopyrimidine compounds and methods of use AMGEN, INC. (US) 2007-08-09 US claimed
WO-2006066172-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-06-22 WO claimed
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 MAP3K11 435/4885BRAF 841/4885FEN1 89/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 MAP3K11 435/4885BRAF 841/4885FEN1 89/4885

“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.