SCHEMBL2980086

SCHEMBL2980086

O=C1NCCN1CCNc1nccc(-c2ccc(S(=O)(=O)N3CCOc4ccccc43)s2)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.40
MKNK1 Q9BUB5 2/20 0.39
MKNK2 Q9HBH9 1/20 0.39
RAF1 P04049 4/20 0.39
NPC1 O15118 1/20 0.36
NAMPT P43490 1/20 0.35
SCN9A Q15858 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
EIF2AK2 P19525 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
GHSR Q92847 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 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
SCHEMBL2980604 0.86 BRAF (0.40) BRAFRAF1KMT2AMEN1GHSR
SCHEMBL2984979 0.86 MKNK1 (0.36) MKNK1MKNK2NPC1NAMPTKMT2A
SCHEMBL2986552 0.84 BRAF (0.39) BRAFMKNK1RAF1SCN9AKMT2A
SCHEMBL2978240 0.81 BRAF (0.46) BRAFMKNK1RAF1EIF2AK2POLB
SCHEMBL2983705 0.81 BRAF (0.47) BRAFRAF1KMT2APOLBMAPT
SCHEMBL2983808 0.81 BRAF (0.47) BRAFMKNK1RAF1SCN9AKMT2A
SCHEMBL2975806 0.81 BRAF (0.47) BRAFMKNK1RAF1KMT2APOLB
SCHEMBL2988854 0.81 BRAF (0.45) BRAFMKNK1RAF1SCN9AKMT2A
SCHEMBL2988603 0.81 BRAF (0.47) BRAFMKNK1RAF1KMT2APOLB
SCHEMBL2981877 0.80 BRAF (0.46) BRAFMKNK1RAF1SCN9AADORA2A

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
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
EP-1827421-A2 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2007-09-05 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
WO-2006062876-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2006-06-15 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 841/4885MKNK1 243/4885MKNK2 325/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 BRAF 841/4885MKNK1 243/4885MKNK2 325/4885

“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.