SCHEMBL2984980

SCHEMBL2984980

O=C1NCCN1CCNc1ncc(-c2ccccc2)c(-c2ccc(S(=O)(=O)N3CCCc4ccccc43)s2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.37
TSHR P16473 1/20 0.36
IRAK1 P51617 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
KMT2A Q03164 3/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
BRAF P15056 2/20 0.34
RAF1 P04049 1/20 0.34
CYP3A4 P08684 1/20 0.33

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
SCHEMBL2981786 0.90 TSHR (0.37) SCN9ATSHRKMT2ALMNAMEN1
SCHEMBL2980604 0.86 BRAF (0.40) TSHRKMT2ALMNAMEN1POLB
SCHEMBL2980545 0.86 SCN9A (0.41) SCN9AIRAK1IRAK4KMT2AADORA2A
SCHEMBL2988270 0.81 SCN9A (0.47) SCN9AIRAK1IRAK4ADORA2AADORA1
SCHEMBL2988258 0.80 BRAF (0.37) SCN9ATSHRIRAK1IRAK4ADORA2A
SCHEMBL2985444 0.79 IRAK1 (0.40) SCN9ATSHRIRAK1IRAK4KMT2A
SCHEMBL2987012 0.79 IRAK1 (0.39) SCN9AIRAK1IRAK4KMT2AADORA2A
SCHEMBL2988141 0.78 IRAK1 (0.39) SCN9AIRAK1IRAK4KMT2AMEN1
SCHEMBL2972060 0.77 IRAK1 (0.39) SCN9AIRAK1IRAK4KMT2AADORA2A
SCHEMBL2983351 0.77 IRAK1 (0.40) SCN9AIRAK1IRAK4ADORA2AADORA1

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 SCN9A 4768/4885TSHR 4700/4885IRAK1 2101/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 SCN9A 4768/4885TSHR 4700/4885IRAK1 2101/4885

“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.