SCHEMBL1921319

SCHEMBL1921319

Clc1ccccc1C#Cc1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.57
KCNH2 Q12809 2/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
CYP1A2 P05177 3/20 0.45
ADK P55263 1/20 0.42

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
SCHEMBL16004606 0.86 GRM5 (0.57) GRM5KCNH2CYP1A2
SCHEMBL30526535 0.86 GRM5 (0.57) GRM5KCNH2CYP1A2
SCHEMBL352291 0.81 GRM5 (0.65) GRM5KCNH2TDP1CYP1A2
SCHEMBL18343633 0.80 PTGDR2 (0.43) GRM5KCNH2PTGDR2CYP1A2ADK
SCHEMBL30707788 0.78 KCNH2 (0.61) GRM5KCNH2PTGDR2CYP1A2
SCHEMBL4448140 0.78 KCNH2 (0.61) GRM5KCNH2PTGDR2CYP1A2
SCHEMBL12424795 0.77 GRM5 (0.55) GRM5KCNH2CYP1A2
SCHEMBL1696992 0.77 GRM5 (0.58) GRM5KCNH2CYP1A2
SCHEMBL30521907 0.77 GRM5 (0.49) GRM5KCNH2CYP1A2
Methyl Alcohol SCHEMBL28902013 0.77 GRM5 (0.67) GRM5KCNH2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108794385-B Method for synthesizing phenylethynyl pyridine derivative 陕西师范大学 2021-09-21 CN disclosed
US-9935277-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-04-03 US disclosed
US-9935277-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-04-03 US disclosed
US-9935277-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-04-03 US disclosed
US-20150214494-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2015-07-30 US disclosed
US-20150214494-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2015-07-30 US disclosed
US-20150214494-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2015-07-30 US disclosed
US-8283476-B2 Transition metal catalyzed synthesis of 2H-indazoles SANOFI (FR) 2012-10-09 US disclosed
EP-2134682-B1 A TRANSITION METAL CATALYZED SYNTHESIS OF N-AMINOINDOLES SANOFI SA (FR) 2011-12-14 EP disclosed
US-8026375-B2 Transition metal catalyzed synthesis of N-aminoindoles SANOFI-AVENTIS (FR) 2011-09-27 US disclosed
EP-2170833-B1 A TRANSITION METAL CATALYZED SYNTHESIS OF 2H-INDAZOLES SANOFI AVENTIS (FR) 2011-06-01 EP disclosed
US-20100234601-A1 Transition metal catalyzed synthesis of 2H-indazoles SANOFI-AVENTIS (FR) 2010-09-16 US disclosed
US-20100168429-A1 Transition metal catalyzed synthesis of N-aminoindoles SANOFI-AVENTIS (FR) 2010-07-01 US disclosed
EP-2170833-A1 A TRANSITION METAL CATALYZED SYNTHESIS OF 2H-INDAZOLES Sanofi-Aventis (FR) 2010-04-07 EP disclosed
EP-2134682-A1 A TRANSITION METAL CATALYZED SYNTHESIS OF N-AMINOINDOLES Sanofi-Aventis (FR) 2009-12-23 EP disclosed
WO-2009000411-A1 A TRANSITION METAL CATALYZED SYNTHESIS OF 2H-INDAZOLES SANOFI-AVENTIS (FR) 2008-12-31 WO disclosed
WO-2008125207-A1 A TRANSITION METAL CATALYZED SYNTHESIS OF N-AMINOINDOLES SANOFI-AVENTIS (FR) 2008-10-23 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-20100168429-A1 Transition metal catalyzed synthesis of N-aminoindoles NAT1, H1-3, H1-2 GRM5 2965/4885KCNH2 177/4885PTGDR2 1904/4885
US-20100234601-A1 Transition metal catalyzed synthesis of 2H-indazoles H1-3, H1-2, H1-4 GRM5 4049/4885KCNH2 41/4885PTGDR2 1691/4885

“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.