SCHEMBL25254448

SCHEMBL25254448

COC(=O)c1cc(C#Cc2ccccn2)cc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.56
KDM4E B2RXH2 3/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL30563419 1.00 GRM5 (0.56) GRM5KDM4ELMNAHTTNPC1
SCHEMBL31139929 0.85 KDM4E (0.42) GRM5KDM4ELMNAHTTNPC1
SCHEMBL30563509 0.84 ALDH1A1 (0.49) GRM5NPC1RAB9A
SCHEMBL25234058 0.84 ALDH1A1 (0.49) GRM5NPC1RAB9A
SCHEMBL3649040 0.82 FFAR1 (0.53) GRM5KDM4ENPC1RAB9APOLB
SCHEMBL17213607 0.80 KDM4E (0.50) GRM5KDM4EHTTNPC1RAB9A
SCHEMBL25846553 0.79 RXFP1 (0.51) GRM5KDM4ELMNAHTTNPC1
SCHEMBL3713749 0.76 ACACB (0.52) GRM5
SCHEMBL30006746 0.76 CA1 (0.46) KDM4ELMNAHTTNPC1RAB9A
SCHEMBL3416767 0.76 PTGDR2 (0.50) GRM5KDM4EHTTPOLBMAPT

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-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

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-20230192733-A1 SUBSTITUTED PHENYL ET458HYNYL PYRIDINE CARBOXAMIDES AS POTENT INHIBITORS OF SARS VIRUS SARS1, ACE2, ACE GRM5 233/4885KDM4E 100/4885LMNA 3223/4885
US-11905306-B2 Substituted phenyl ethynyl pyridine carboxamides as potent inhibitors of SARS virus SARS1, ACE2, TMPRSS2 GRM5 602/4885KDM4E 176/4885LMNA 3265/4885

“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.