SCHEMBL2809759

SCHEMBL2809759

Nc1cccc(C#Cc2ccccn2)c1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.49
ASIC3 Q9UHC3 1/20 0.49
GRM5 P41594 2/20 0.49
PIK3CA P42336 1/20 0.47
MTOR P42345 1/20 0.47
PDK1 Q15118 1/20 0.47

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
SCHEMBL3391907 0.80 MAPT (0.57) ERN1GRM5
SCHEMBL31139969 0.80 ASIC3 (0.49) ASIC3PIK3CAMTORPDK1
SCHEMBL4978340 0.79 ERN1 (0.49) ERN1GRM5
SCHEMBL2810254 0.79 ERN1 (0.56) ERN1GRM5
SCHEMBL2807656 0.79 ERN1 (0.49) ERN1GRM5
SCHEMBL30214468 0.79 FFAR1 (0.58) GRM5
SCHEMBL1809895 0.79 FFAR1 (0.58) GRM5
SCHEMBL4968126 0.79 CYP3A4 (0.58) ASIC3PIK3CAMTORPDK1
Hydrochloric Acid SCHEMBL19668206 0.77 FFAR1 (0.57) GRM5
SCHEMBL2811255 0.77 MAPT (0.62) ASIC3PIK3CAMTORPDK1

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
US-11905306-B2 Substituted phenyl ethynyl pyridine carboxamides as potent inhibitors of SARS virus SOUTHERN RESEARCH INSTITUTE (US) 2024-02-20 US disclosed
WO-2023122212-A2 SUBSTITUTED PHENYL ETHYNYL PYRIDINE CARBOXAMIDES AS POTENT INHIBITORS OF SARS VIRUS SOUTHERN RESEARCH INSTITUTE (US) 2023-06-29 WO disclosed
WO-2023122212-A2 SUBSTITUTED PHENYL ETHYNYL PYRIDINE CARBOXAMIDES AS POTENT INHIBITORS OF SARS VIRUS SOUTHERN RESEARCH INSTITUTE (US) 2023-06-29 WO disclosed
US-20230192733-A1 SUBSTITUTED PHENYL ET458HYNYL PYRIDINE CARBOXAMIDES AS POTENT INHIBITORS OF SARS VIRUS SOUTHERN RESEARCH INSTITUTE 2023-06-22 US disclosed
US-20230192733-A1 SUBSTITUTED PHENYL ET458HYNYL PYRIDINE CARBOXAMIDES AS POTENT INHIBITORS OF SARS VIRUS SOUTHERN RESEARCH INSTITUTE 2023-06-22 US disclosed
US-20230192733-A1 SUBSTITUTED PHENYL ET458HYNYL PYRIDINE CARBOXAMIDES AS POTENT INHIBITORS OF SARS VIRUS SOUTHERN RESEARCH INSTITUTE 2023-06-22 US disclosed
US-20190209548-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME UNIVERSITY OF MARYLAND, BALTIMORE 2019-07-11 US disclosed
US-10130625-B2 Linked diaryl compounds with anticancer properties and methods of using the same UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2018-11-20 US disclosed
US-20170174620-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME UNIVERSITY OF MARYLAND, COLLEGE PARK 2017-06-22 US disclosed
WO-2016014674-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2016-01-28 WO disclosed
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 US disclosed
US-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
EP-2202220-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF Fujifilm Corporation (JP) 2010-06-30 EP disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 EP disclosed
US-20100079705-A1 SUBSTRATE FOR LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed
US-20100079705-A1 SUBSTRATE FOR LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed
WO-2003026664-A1 2-PHENYLAMINO-4- (5-PYRAZOLYLAMINO) -PYRAMIDINE DERIVATIVES AS KINASE INHIBITORS, IN PARTICULAR, SRC KINASE INHIBITORS BAYER CORPORATION (US) 2003-04-03 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 (7 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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B ERN1 1196/4885ASIC3 1882/4885GRM5 2797/4885
US-20170174620-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME MCL1, DPYD, TOP2B ERN1 3099/4885ASIC3 4763/4885GRM5 4401/4885
US-20230192733-A1 SUBSTITUTED PHENYL ET458HYNYL PYRIDINE CARBOXAMIDES AS POTENT INHIBITORS OF SARS VIRUS SARS1, ACE2, ACE ERN1 271/4885ASIC3 1733/4885GRM5 233/4885
US-11905306-B2 Substituted phenyl ethynyl pyridine carboxamides as potent inhibitors of SARS virus SARS1, ACE2, TMPRSS2 ERN1 384/4885ASIC3 1033/4885GRM5 602/4885
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 ERN1 768/4885ASIC3 2371/4885GRM5 3664/4885
US-20190209548-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME MCL1, DPYD, TOP2B ERN1 3099/4885ASIC3 4763/4885GRM5 4401/4885
US-10130625-B2 Linked diaryl compounds with anticancer properties and methods of using the same MCL1, DPYD, TOP2B ERN1 3099/4885ASIC3 4763/4885GRM5 4401/4885

“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.