SCHEMBL2975829

SCHEMBL2975829

O=C1NCCN1CCNc1ncc(Br)c(-c2ccc(S(=O)(=O)c3ccc(F)cc3)s2)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
SCN9A Q15858 9/20 0.43
BRAF P15056 2/20 0.35
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
POLB P06746 1/20 0.33
IRAK1 P51617 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
RAF1 P04049 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 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
SCHEMBL2974375 0.92 SCN9A (0.41) ALDH1A1SCN9ABRAFPIK3CAMTOR
SCHEMBL2984806 0.85 ALDH1A1 (0.50) ALDH1A1SCN9ABRAFPOLBRAF1
SCHEMBL2975039 0.85 RECQL (0.38) ALDH1A1SCN9ABRAFPOLBIRAK1
SCHEMBL2988097 0.81 PTGS2 (0.32) ALDH1A1
SCHEMBL2988370 0.81 BRAF (0.41) ALDH1A1SCN9ABRAFIRAK1IRAK4
SCHEMBL5149061 0.81 PLA2G7 (0.38) ALDH1A1
SCHEMBL5147464 0.78 BRAF (0.35) ALDH1A1SCN9ABRAFIRAK1IRAK4
SCHEMBL2982112 0.78 TBK1 (0.39) SCN9ABRAFIRAK1IRAK4ADORA2A
SCHEMBL2981786 0.78 TSHR (0.37) ALDH1A1SCN9APOLBKDM4EMAPK1
SCHEMBL2975066 0.77 BRAF (0.44) ALDH1A1SCN9ABRAFPIK3CAMTOR

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 16 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
CN-101115749-B Aminopyrimidine compounds and methods of use AMGEN INC 2011-06-22 CN claimed
US-7786132-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-08-31 US claimed
CN-101115749-A Aminopyrimidine compounds and methods of use AMGEN INC (US) 2008-01-30 CN 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
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 ALDH1A1 1565/4885SCN9A 4768/4885BRAF 841/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 ALDH1A1 1565/4885SCN9A 4768/4885BRAF 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.