SCHEMBL2972060

SCHEMBL2972060

O=C1NCCN1CCNc1ncc(-c2cccc(N3CCCCC3)c2)c(-c2ccc(S(=O)(=O)N3CCCCC3)s2)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
BRAF P15056 5/20 0.37
RAF1 P04049 4/20 0.37
ALOX5AP P20292 5/20 0.34
FEN1 P39748 5/20 0.34
SCN9A Q15858 1/20 0.34
PIM1 P11309 1/20 0.33
GUSB P08236 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTK2 Q05397 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
AXL P30530 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31

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
SCHEMBL2988141 0.91 IRAK1 (0.39) IRAK1IRAK4BRAFRAF1ALOX5AP
SCHEMBL2980545 0.90 SCN9A (0.41) IRAK1IRAK4BRAFRAF1ALOX5AP
SCHEMBL2987012 0.90 IRAK1 (0.39) IRAK1IRAK4BRAFRAF1ALOX5AP
SCHEMBL2980398 0.89 IRAK1 (0.40) IRAK1IRAK4BRAFRAF1ALOX5AP
SCHEMBL2983801 0.89 IRAK1 (0.40) IRAK1IRAK4BRAFRAF1SCN9A
SCHEMBL2985444 0.89 IRAK1 (0.40) IRAK1IRAK4BRAFRAF1ALOX5AP
SCHEMBL2988258 0.87 BRAF (0.37) IRAK1IRAK4BRAFRAF1SCN9A
SCHEMBL2976841 0.87 BRAF (0.41) IRAK1IRAK4BRAFRAF1MEN1
SCHEMBL2980451 0.85 MAP3K11 (0.37) IRAK1IRAK4BRAFRAF1ALOX5AP
SCHEMBL2976780 0.84 IRAK1 (0.42) IRAK1IRAK4BRAFRAF1SCN9A

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 5 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
US-20070185133-A1 Aminopyrimidine compounds and methods of use AMGEN, INC. (US) 2007-08-09 US 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 IRAK1 2101/4885IRAK4 2705/4885BRAF 841/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 IRAK1 2101/4885IRAK4 2705/4885BRAF 841/4885

“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.