SCHEMBL1667435

SCHEMBL1667435

O=C(CCl)C1CCN(c2nccs2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.59
HSD17B10 Q99714 1/20 0.57
ALDH1A1 P00352 1/20 0.55
HTT P42858 1/20 0.54
HRH3 Q9Y5N1 1/20 0.46
GRM5 P41594 1/20 0.46
GRM1 Q13255 1/20 0.46
HPGDS O60760 1/20 0.43
SLC6A7 Q99884 1/20 0.42
KDM4C Q9H3R0 1/20 0.41
SCD O00767 1/20 0.41
CYP3A4 P08684 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CHI3L1 P36222 1/20 0.39
CHIT1 Q13231 1/20 0.39
CHI3L2 Q15782 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
SCHEMBL11996777 0.86 HPGD (0.59) HPGDHSD17B10ALDH1A1HTTHRH3
SCHEMBL20387173 0.82 HPGD (0.58) HPGDHSD17B10ALDH1A1HTTHRH3
SCHEMBL1994252 0.82 HSD17B10 (0.67) HPGDHSD17B10ALDH1A1HTTHRH3
SCHEMBL1989546 0.81 HPGD (0.63) HPGDHSD17B10ALDH1A1HTTHRH3
SCHEMBL1668959 0.81 HSD17B10 (0.65) HPGDHSD17B10ALDH1A1HTTHRH3
SCHEMBL11994540 0.81 HPGD (0.63) HPGDHSD17B10ALDH1A1HTTHRH3
Lithium Ion SCHEMBL1668957 0.79 HPGD (0.61) HPGDHSD17B10ALDH1A1HTTHRH3
SCHEMBL1700325 0.77 HPGD (0.62) HPGDHSD17B10ALDH1A1HTTHRH3
SCHEMBL1984393 0.77 HTT (0.57) HPGDHSD17B10ALDH1A1HTTHRH3
SCHEMBL16695496 0.77 HSD17B10 (0.60) HPGDHSD17B10ALDH1A1HTTHRH3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483263-B1 HETEROCYCLIC COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2018-07-18 EP disclosed
EP-2483263-B1 HETEROCYCLIC COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2018-07-18 EP disclosed
US-8658651-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-25 US disclosed
US-8658651-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-25 US disclosed
US-8658651-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-25 US disclosed
US-20120214823-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2012-08-23 US disclosed
US-20120214823-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2012-08-23 US disclosed
US-20120214823-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2012-08-23 US disclosed
EP-2483263-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS Schering Corporation (US) 2012-08-08 EP disclosed
WO-2011041152-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2011-04-07 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 (1 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-20120214823-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 HPGD 1122/4885HSD17B10 1730/4885ALDH1A1 154/4885

“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.