SCHEMBL973508

SCHEMBL973508

Cc1csc(N(C)CCNC(=O)C#Cc2cccc(Cl)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.42
PYGL P06737 1/20 0.41
GCK P35557 1/20 0.40
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TLR7 Q9NYK1 1/20 0.37
SCD O00767 1/20 0.36
VCP P55072 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
UTS2R Q9UKP6 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL971825 0.91 PYGL (0.41) GRM5PYGLMAPTSMN1; SMN2ALDH1A1
SCHEMBL973076 0.89 PYGL (0.40) GRM5PYGLALDH1A1TLR7VCP
SCHEMBL971438 0.86 L3MBTL1 (0.47) GRM5PYGLLMNAMAPTSMN1; SMN2
SCHEMBL973186 0.83 PYGL (0.41) GRM5PYGLMEN1LMNAMAPT
SCHEMBL2348851 0.83 PYGL (0.41) GRM5PYGLALDH1A1TLR7VCP
Hydrochloric Acid SCHEMBL972280 0.82 PYGL (0.41) GRM5PYGLMEN1LMNAMAPT
SCHEMBL971082 0.82 GRM5 (0.41) GRM5PYGLALDH1A1RAB9AVCP
SCHEMBL972331 0.82 GRM5 (0.42) GRM5PYGLMEN1MAPTKMT2A
SCHEMBL2851862 0.82 PYGL (0.39) GRM5PYGLMEN1MAPTKMT2A
SCHEMBL971937 0.81 NPC1 (0.48) GRM5PYGLMEN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7871999-B2 Substituted thiazoles and their use for producing drugs GRUENENTHAL GMBH (DE) 2011-01-18 US claimed
EP-1968957-B1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2010-01-20 EP claimed
US-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2009-07-09 US claimed
US-7871999-B2 Substituted thiazoles and their use for producing drugs GRUENENTHAL GMBH (DE) 2011-01-18 US disclosed
EP-1968957-B1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2010-01-20 EP disclosed
US-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2009-07-09 US disclosed
WO-2007079960-A9 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2008-10-23 WO disclosed
EP-1968957-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-09-17 EP disclosed
WO-2007079960-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-07-19 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-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS TPMT, SLC5A2, DPP4 GRM5 1623/4885PYGL 566/4885GCK 497/4885

“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.