SCHEMBL8239502

SCHEMBL8239502

Cc1nc(-c2ccc(-c3ccccc3F)nc2)cs1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
KDM4E B2RXH2 2/20 0.51
PKM P14618 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.45
SCD O00767 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
SCN9A Q15858 1/20 0.43

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
SCHEMBL8242243 0.86 KDM4E (0.49) NPC1RAB9AKDM4EPOLBGAA
SCHEMBL11982729 0.85 GRM5 (0.47) NPC1RAB9AKDM4ETDP1MEN1
SCHEMBL12206495 0.84 RAB9A (0.49) MPLNPC1RAB9AKDM4EPKM
SCHEMBL8239128 0.84 KDM4E (0.47) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL8700796 0.83 MPL (0.66) MPLNPC1RAB9AKDM4EPKM
SCHEMBL11982656 0.83 KDM4E (0.46) NPC1RAB9AKDM4ESMN1; SMN2KMT2A
SCHEMBL11982667 0.82 RAB9A (0.52) NPC1RAB9AKDM4ESMN1; SMN2MEN1
SCHEMBL8239387 0.82 GAA (0.43) NPC1RAB9AKDM4EPOLBGAA
SCHEMBL11982626 0.81 MAPT (0.51) GAASCN9A
SCHEMBL11982658 0.81 KDM1A (0.50) MPLNPC1RAB9ASMN1; SMN2MEN1

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 6 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-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 MPL 861/4885NPC1 1081/4885RAB9A 2326/4885
US-20090203903-A1 Thiazolyl mglur5 antagonists and methods for their use GRM5, GRIK5, GRM3 MPL 861/4885NPC1 1081/4885RAB9A 2326/4885
US-20110230526-A1 Thiazolyl Mglur5 Antagonists and Methods for Their Use GRM5, GRIK5, GRM3 MPL 861/4885NPC1 1081/4885RAB9A 2326/4885

“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.