SCHEMBL2987097

SCHEMBL2987097

CC1CCCN(S(=O)(=O)c2ccc(-c3ccnc(NCCN4C(=O)NC(=O)C4(C)C)n3)s2)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 2/20 0.35
MAPK3 P27361 1/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.32
NAMPT P43490 2/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 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
SCHEMBL2980393 0.85 MMP3 (0.35) ALDH1A1LMNAKMT2AMAPK3MAPK1
SCHEMBL2988508 0.85 BRAF (0.44) ALDH1A1TSHRLMNAKMT2AGAA
SCHEMBL2982266 0.83 MAPK3 (0.34) MAPK3MAPK1
SCHEMBL2984959 0.82 LOXL2 (0.34) MAPK3MAPK1
SCHEMBL2986689 0.79 TSHR (0.38) ALDH1A1TSHRLMNAKMT2AMAPK1
SCHEMBL2981644 0.78 MAPK3 (0.38) MAPK3MAPK1
SCHEMBL2980290 0.78 AKT3 (0.34) MAPK3MAPK1NPSR1
SCHEMBL2987757 0.78 MAPK3 (0.32) MAPK3MAPK1
SCHEMBL2980519 0.78 MKNK1 (0.34) MAPK3MAPK1POLB
SCHEMBL2982199 0.77 MAP3K5 (0.35) KMT2AMAPK3MAPK1KDM4EPOLB

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 ALDH1A1 1565/4885TSHR 4700/4885LMNA 3015/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 ALDH1A1 1565/4885TSHR 4700/4885LMNA 3015/4885

“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.