SCHEMBL2988508

SCHEMBL2988508

CC1CCCN(S(=O)(=O)c2ccc(-c3ccnc(NCCN4CCNC4=O)n3)s2)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.44
ALDH1A1 P00352 4/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
RAF1 P04049 4/20 0.40
IKBKB O14920 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
KDM4E B2RXH2 2/20 0.34
AKR1C3 P42330 1/20 0.34
GAA P10253 2/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
THRB P10828 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL2985285 0.90 BRAF (0.48) BRAFALDH1A1RAF1IKBKB
SCHEMBL2983705 0.89 BRAF (0.47) BRAFALDH1A1TSHRRAF1IKBKB
SCHEMBL2983808 0.89 BRAF (0.47) BRAFALDH1A1RAF1IKBKBKMT2A
SCHEMBL2975806 0.88 BRAF (0.47) BRAFALDH1A1TSHRRAF1IKBKB
SCHEMBL2988603 0.88 BRAF (0.47) BRAFALDH1A1TSHRRAF1IKBKB
SCHEMBL2981877 0.86 BRAF (0.46) BRAFALDH1A1RAF1IKBKBTP53
SCHEMBL2982070 0.86 BRAF (0.46) BRAFALDH1A1RAF1IKBKBKMT2A
SCHEMBL2983920 0.85 BRAF (0.45) BRAFALDH1A1RAF1IKBKBKMT2A
SCHEMBL2987097 0.85 ALDH1A1 (0.42) ALDH1A1TSHRLMNAKMT2AMEN1
SCHEMBL2986658 0.85 BRAF (0.45) BRAFALDH1A1LMNARAF1IKBKB

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 841/4885ALDH1A1 1565/4885TSHR 4700/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 BRAF 841/4885ALDH1A1 1565/4885TSHR 4700/4885

“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.