SCHEMBL2983808

SCHEMBL2983808

O=C1NCCN1CCNc1nccc(-c2ccc(S(=O)(=O)N3CCC3)s2)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.47
RAF1 P04049 4/20 0.43
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
IKBKB O14920 6/20 0.36
CHUK O15111 3/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK8 P45983 1/20 0.36
SCN9A Q15858 1/20 0.35
MKNK1 Q9BUB5 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
SCHEMBL2983705 0.98 BRAF (0.47) BRAFRAF1MAPTKDM4EALDH1A1
SCHEMBL2975806 0.97 BRAF (0.47) BRAFRAF1MAPTKDM4EALDH1A1
SCHEMBL2988603 0.97 BRAF (0.47) BRAFRAF1MAPTKDM4EALDH1A1
SCHEMBL2982070 0.93 BRAF (0.46) BRAFRAF1MAPTALDH1A1L3MBTL1
SCHEMBL2978240 0.93 BRAF (0.46) BRAFRAF1MAPTALDH1A1IKBKB
SCHEMBL2985285 0.90 BRAF (0.48) BRAFRAF1MAPTALDH1A1L3MBTL1
SCHEMBL2988508 0.89 BRAF (0.44) BRAFRAF1KDM4EALDH1A1IKBKB
SCHEMBL2974891 0.89 BRAF (0.41) BRAFRAF1MAPTKDM4EALDH1A1
SCHEMBL2984723 0.87 BRAF (0.47) BRAFRAF1KDM4EALDH1A1IKBKB
SCHEMBL2983920 0.87 BRAF (0.45) BRAFRAF1MAPTALDH1A1IKBKB

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.