SCHEMBL2986503

SCHEMBL2986503

CS(=O)(=O)c1nccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
POLB P06746 5/20 0.45
ALDH1A1 P00352 4/20 0.45
GAA P10253 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
KMT2A Q03164 4/20 0.43
IKBKB O14920 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL2973020 0.77 NPC1 (0.54) MAPTALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL7421078 0.76 GABRA1 (0.39) MAPTIKBKBKDM4E
SCHEMBL2988685 0.76 ALOX15 (0.45) ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL12793849 0.75 L3MBTL1 (0.56) MAPTPOLBALDH1A1GAACYP1A2
SCHEMBL2198268 0.74 MAPT (0.51) MAPTKMT2AIKBKBKDM4EMEN1
SCHEMBL12793609 0.73 L3MBTL1 (0.57) MAPTPOLBALDH1A1GAACYP1A2
SCHEMBL2978240 0.72 BRAF (0.46) MAPTPOLBALDH1A1GAACYP1A2
SCHEMBL2198259 0.70 KDM4E (0.38) MAPTPOLBALDH1A1HPGDHSD17B10
SCHEMBL2194363 0.70 LOXL2 (0.47) MAPTPOLBALDH1A1CYP3A4CYP2D6
SCHEMBL14638939 0.70 KMT2A (0.73) MAPTPOLBALDH1A1GAACYP1A2

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 MAPT 1412/4885POLB 16/4885ALDH1A1 1565/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 MAPT 1412/4885POLB 16/4885ALDH1A1 1565/4885

“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.