SCHEMBL8239128

SCHEMBL8239128

Cc1ccc(F)c(-c2ccc(-c3csc(C)n3)cn2)c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
POLB P06746 2/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 1/20 0.47
RECQL P46063 1/20 0.47
ESR2 Q92731 1/20 0.47
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ROCK2 O75116 1/20 0.42
PIM1 P11309 1/20 0.42
GSK3B P49841 1/20 0.42
AURKB Q96GD4 1/20 0.42
AR P10275 1/20 0.42
HTT P42858 1/20 0.42
PTGS2 P35354 1/20 0.41

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
SCHEMBL11982614 0.86 MEN1 (0.46) KDM4EPOLBGAAALDH1A1MAPT
SCHEMBL8233422 0.84 GAA (0.58) KDM4EPOLBGAAALDH1A1MAPT
SCHEMBL8239502 0.84 MPL (0.51) KDM4EPOLBGAARAB9ANPC1
SCHEMBL13895546 0.83 ALDH1A1 (0.43) KDM4EPOLBGAAALDH1A1MAPT
SCHEMBL11982729 0.83 GRM5 (0.47) KDM4EPOLBGAAALDH1A1MAPT
SCHEMBL11982616 0.82 ALDH1A1 (0.50) KDM4EPOLBGAAALDH1A1MAPT
SCHEMBL11982617 0.82 MAPT (0.55) KDM4EPOLBGAAALDH1A1MAPT
SCHEMBL11982615 0.81 RAB9A (0.50) KDM4EPOLBGAAALDH1A1MAPT
SCHEMBL13764341 0.80 GRM5 (0.47) KDM4EPOLBGAAALDH1A1MAPT
SCHEMBL13764343 0.80 GRM5 (0.47) KDM4EPOLBGAAALDH1A1MAPT

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
US-20120289696-A1 THIAZOLYL MGLUR5 ANTAGONISTS AND METHODS FOR THEIR USE MERCK SHARP & DOHME LLC 2012-11-15 US disclosed
US-8242143-B2 Thiazolyl mGluR5 antagonists and methods for their use MERCK SHARP & DOHME CORP. (US) 2012-08-14 US disclosed
EP-2380889-A2 Thiazolyl MGLUR5 antagonists and methods for their use Merck Sharp & Dohme Corp. (US) 2011-10-26 EP disclosed
US-20110230526-A1 Thiazolyl Mglur5 Antagonists and Methods for Their Use MERCK SHARP & DOHME CORP. (US) 2011-09-22 US disclosed
US-7879882-B2 glutamate receptor antagonists such as 3-fluoro-5-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-yl]benzonitrile, used for the treatment of ischemia, , schizophrenia, obesity, attention deficit disorders, epilepsy, eating, cardiovacular, neurodegenerative, psychological and sleep disorders MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-20090203903-A1 Thiazolyl mglur5 antagonists and methods for their use MERCK SHARP & DOHME LLC 2009-08-13 US disclosed
WO-2007050050-A2 THIAZOLYL MGLUR5 ANTAGONISTS AND METHODS FOR THEIR USE MERCK & CO., INC. (US) 2007-05-03 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 (3 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-20120289696-A1 THIAZOLYL MGLUR5 ANTAGONISTS AND METHODS FOR THEIR USE GRM5, GRIK5, GRM3 KDM4E 1789/4885POLB 4840/4885GAA 3718/4885
US-20090203903-A1 Thiazolyl mglur5 antagonists and methods for their use GRM5, GRIK5, GRM3 KDM4E 1789/4885POLB 4840/4885GAA 3718/4885
US-20110230526-A1 Thiazolyl Mglur5 Antagonists and Methods for Their Use GRM5, GRIK5, GRM3 KDM4E 1789/4885POLB 4840/4885GAA 3718/4885

“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.