SCHEMBL23458075

SCHEMBL23458075

Cc1cnc(-n2cnc(C#C[Si](C)(C)C)c2C)cn1

nearest known ligand 0.31

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GRM5 P41594 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 1/20 0.30
GABRE P78334 1/20 0.30
GABRA6 Q16445 1/20 0.30
GABRG1 Q8N1C3 1/20 0.30
GABRG3 Q99928 1/20 0.30
GABRQ Q9UN88 1/20 0.30

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
SCHEMBL29768504 1.00 KCNH2 (0.31) KCNH2GPR119GABRPGABRDGABRA1
SCHEMBL23457996 0.81 GRIN2D (0.32) GRM5
SCHEMBL29768520 0.81 GRIN2D (0.32) GRM5
SCHEMBL29768561 0.78 ELANE (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23458047 0.78 ELANE (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23481079 0.72 RXRA (0.33)
SCHEMBL23481116 0.70
SCHEMBL29873448 0.65 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23481121 0.65 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2629370 0.61 KCNH2 (0.33) KCNH2GPR119

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 7 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 disclosed
CN-114746408-B Alkynyl- (heteroaryl) -carboxamide HCN1 inhibitors 豪夫迈·罗氏有限公司 2025-02-14 CN 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 KCNH2 182/4885GPR119 1265/4885GABRP 2392/4885
US-20220306607-A1 ALKYNYL-(HETEROARYL)-CARBOXAMIDE HCN1 INHIBITORS HCN1, HCN2, HCN3 KCNH2 432/4885GPR119 318/4885GABRP 1630/4885

“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.