SCHEMBL2984512

SCHEMBL2984512

CN(C)S(=O)(=O)c1ccc(-c2ccnc(NCCN3CCNC3=O)n2)s1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.46
RAF1 P04049 4/20 0.42
MAPT P10636 1/20 0.38
MKNK1 Q9BUB5 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
SCN9A Q15858 4/20 0.35
IRAK1 P51617 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
AKT3 Q9Y243 1/20 0.35
KMT2A Q03164 2/20 0.35
RAB9A P51151 1/20 0.35
CDC7 O00311 1/20 0.35

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
SCHEMBL2972087 0.89 BRAF (0.43) BRAFRAF1MKNK1ALDH1A1ADORA2A
SCHEMBL2984723 0.88 BRAF (0.47) BRAFRAF1MKNK1ALDH1A1ADORA2A
SCHEMBL2982070 0.86 BRAF (0.46) BRAFRAF1MAPTMKNK1ALDH1A1
SCHEMBL2983705 0.86 BRAF (0.47) BRAFRAF1MAPTALDH1A1KMT2A
SCHEMBL2983808 0.86 BRAF (0.47) BRAFRAF1MAPTMKNK1ALDH1A1
SCHEMBL2975066 0.85 BRAF (0.44) BRAFRAF1MKNK1ALDH1A1ADORA2A
SCHEMBL2988854 0.85 BRAF (0.45) BRAFRAF1MKNK1ALDH1A1ADORA2A
SCHEMBL2975806 0.85 BRAF (0.47) BRAFRAF1MAPTMKNK1ALDH1A1
SCHEMBL2988603 0.85 BRAF (0.47) BRAFRAF1MAPTMKNK1ALDH1A1
SCHEMBL2988388 0.85 BRAF (0.49) BRAFRAF1MKNK1ADORA2AADORA1

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 7 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
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 1089/4885MAPT 1412/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 BRAF 841/4885RAF1 1089/4885MAPT 1412/4885

“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.