SCHEMBL23458046

SCHEMBL23458046

NC(=O)c1nc(C#Cc2ccnc(Cl)c2)cn1-c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 16/20 0.53
KCNH2 Q12809 2/20 0.48
FFAR1 O14842 1/20 0.38
ADRB3 P13945 1/20 0.36
TSPO P30536 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
GPR35 Q9HC97 1/20 0.36
PDE4B Q07343 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
NR3C1 P04150 1/20 0.33

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
SCHEMBL29768347 1.00 GRM5 (0.53) GRM5KCNH2FFAR1ADRB3TSPO
SCHEMBL23458003 0.92 GRM5 (0.52) GRM5KCNH2FFAR1ADRB3TSPO
SCHEMBL23458175 0.87 GRM5 (0.53) GRM5KCNH2FFAR1ADRB3TSPO
SCHEMBL29768496 0.87 GRM5 (0.53) GRM5KCNH2FFAR1ADRB3TSPO
SCHEMBL23458160 0.85 GRM5 (0.43) GRM5KCNH2FFAR1ADRB3TSPO
SCHEMBL29768329 0.85 GRM5 (0.43) GRM5KCNH2FFAR1ADRB3TSPO
SCHEMBL23481090 0.82 GRM5 (0.53) GRM5KCNH2FFAR1ADRB3TSPO
SCHEMBL2172336 0.81 GRM5 (0.78) GRM5KCNH2FFAR1ADRB3TSPO
SCHEMBL29378035 0.81 GRM5 (0.78) GRM5KCNH2FFAR1ADRB3TSPO
Fumaric Acid SCHEMBL2172804 0.77 GRM5 (0.49) GRM5KCNH2FFAR1ADRB3TSPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12528784-B2 Alkynyl-(heteroaryl)-carboxamide HCN1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2026-01-20 US claimed
EP-4069685-A1 ALKYNYL-(HETEROARYL)-CARBOXAMIDE HCN1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2022-10-12 EP claimed
US-20220306607-A1 ALKYNYL-(HETEROARYL)-CARBOXAMIDE HCN1 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2022-09-29 US claimed
CN-114746408-A Alkynyl- (heteroaryl) -carboxamide HCN1 inhibitors 豪夫迈·罗氏有限公司 2022-07-12 CN claimed
WO-2021110574-A1 ALKYNYL-(HETEROARYL)-CARBOXAMIDE HCN1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2021-06-10 WO claimed
US-12528784-B2 Alkynyl-(heteroaryl)-carboxamide HCN1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2026-01-20 US disclosed
EP-4069685-A1 ALKYNYL-(HETEROARYL)-CARBOXAMIDE HCN1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2022-10-12 EP disclosed
US-20220306607-A1 ALKYNYL-(HETEROARYL)-CARBOXAMIDE HCN1 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2022-09-29 US disclosed
CN-114746408-A Alkynyl- (heteroaryl) -carboxamide HCN1 inhibitors 豪夫迈·罗氏有限公司 2022-07-12 CN disclosed
WO-2021110574-A1 ALKYNYL-(HETEROARYL)-CARBOXAMIDE HCN1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2021-06-10 WO disclosed
WO-2021110574-A1 ALKYNYL-(HETEROARYL)-CARBOXAMIDE HCN1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2021-06-10 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-12528784-B2 Alkynyl-(heteroaryl)-carboxamide HCN1 inhibitors HCN1, HCN2, HCN3 GRM5 2767/4885KCNH2 182/4885FFAR1 1200/4885
US-20220306607-A1 ALKYNYL-(HETEROARYL)-CARBOXAMIDE HCN1 INHIBITORS HCN1, HCN2, HCN3 GRM5 1146/4885KCNH2 432/4885FFAR1 435/4885

“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.