SCHEMBL2987401

SCHEMBL2987401

O=C1NCCN1CCNc1nccc(-c2ccc(S(=O)(=O)n3ccc4ccccc43)s2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.42
RAF1 P04049 4/20 0.40
MKNK1 Q9BUB5 3/20 0.40
SCN9A Q15858 1/20 0.35
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
HTT P42858 2/20 0.34
HTR6 P50406 2/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
EIF2AK2 P19525 1/20 0.33
MKNK2 Q9HBH9 2/20 0.33
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
PKM P14618 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL2983808 0.83 BRAF (0.47) BRAFRAF1MKNK1SCN9AKMT2A
SCHEMBL2983705 0.83 BRAF (0.47) BRAFRAF1KMT2AALDH1A1TSHR
SCHEMBL2988854 0.83 BRAF (0.45) BRAFRAF1MKNK1SCN9AKMT2A
SCHEMBL2988603 0.83 BRAF (0.47) BRAFRAF1MKNK1KMT2AALDH1A1
SCHEMBL2975806 0.83 BRAF (0.47) BRAFRAF1MKNK1KMT2AALDH1A1
SCHEMBL2984723 0.82 BRAF (0.47) BRAFRAF1MKNK1SCN9AKMT2A
SCHEMBL2983326 0.82 MKNK1 (0.35) MKNK1KMT2AALDH1A1MEN1HTT
SCHEMBL2982070 0.82 BRAF (0.46) BRAFRAF1MKNK1KMT2AALDH1A1
SCHEMBL2978240 0.82 BRAF (0.46) BRAFRAF1MKNK1ALDH1A1HPGD
SCHEMBL2973546 0.81 TSHR (0.43) BRAFRAF1SCN9AKMT2AMEN1

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 1089/4885MKNK1 243/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 BRAF 841/4885RAF1 1089/4885MKNK1 243/4885

“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.