SCHEMBL2988854

SCHEMBL2988854

O=C1NCCN1CCNc1nccc(-c2ccc(S(=O)(=O)c3ccccc3)s2)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.45
RAF1 P04049 4/20 0.42
SCN9A Q15858 3/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
ALDH1A1 P00352 2/20 0.38
EIF2AK2 P19525 1/20 0.38
IKBKB O14920 2/20 0.37
CHUK O15111 1/20 0.37
KMT2A Q03164 1/20 0.37
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
IRAK1 P51617 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
MKNK1 Q9BUB5 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34

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
SCHEMBL2975066 0.91 BRAF (0.44) BRAFRAF1SCN9AADORA2AADORA1
SCHEMBL2984806 0.91 ALDH1A1 (0.50) BRAFRAF1SCN9AALDH1A1IKBKB
SCHEMBL2981936 0.90 BRAF (0.44) BRAFRAF1SCN9AADORA2AADORA1
SCHEMBL2975431 0.87 BRAF (0.42) BRAFRAF1SCN9AADORA2AADORA1
SCHEMBL2984723 0.87 BRAF (0.47) BRAFRAF1SCN9AADORA2AADORA1
SCHEMBL2983705 0.86 BRAF (0.47) BRAFRAF1ALDH1A1IKBKBCHUK
SCHEMBL2972087 0.86 BRAF (0.43) BRAFRAF1SCN9AADORA2AADORA1
SCHEMBL2988603 0.85 BRAF (0.47) BRAFRAF1ALDH1A1IKBKBCHUK
SCHEMBL2975806 0.85 BRAF (0.47) BRAFRAF1ALDH1A1IKBKBCHUK
SCHEMBL2974375 0.85 SCN9A (0.41) BRAFRAF1SCN9AADORA2AADORA1

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 9 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
CN-101115749-B Aminopyrimidine compounds and methods of use AMGEN INC 2011-06-22 CN 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
CN-101115749-A Aminopyrimidine compounds and methods of use AMGEN INC (US) 2008-01-30 CN 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 841/4885RAF1 1089/4885SCN9A 4768/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 BRAF 841/4885RAF1 1089/4885SCN9A 4768/4885

“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.