SCHEMBL23458043

SCHEMBL23458043

Cc1ccc(-n2cnc(C=O)c2C)cn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.39
ALDH1A1 P00352 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
KCNJ1 P48048 2/20 0.33
HSD17B3 P37058 1/20 0.32
CYP2E1 P05181 1/20 0.31
CYP2A6 P11509 1/20 0.31
PTGS2 P35354 1/20 0.31
DRD3 P35462 1/20 0.30
KCNH2 Q12809 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL1699061 0.74 ALDH1A1 (0.41) ALDH1A1KDM4C
SCHEMBL23458100 0.71 ALDH1A1 (0.43) ELANEALDH1A1CHRNB2CHRNA4CYP2E1
SCHEMBL23457989 0.71 ELANE (0.36) ELANECHRNB2CHRNA4CYP2E1CYP2A6
SCHEMBL23458065 0.71 KMT2A (0.35) ALDH1A1KCNJ1CYP2A6HDAC6
SCHEMBL21994698 0.70 PREP (0.39) ALDH1A1KDM4C
SCHEMBL21978533 0.69 NPC1 (0.49) ALDH1A1PTGS2KCNH2HDAC6
SCHEMBL29768506 0.68 NPC1 (0.44) ALDH1A1
SCHEMBL23458339 0.68 NPC1 (0.44) ALDH1A1
SCHEMBL23458047 0.68 ELANE (0.33) ELANECHRNB2CHRNA4CYP2E1CYP2A6
SCHEMBL29768561 0.68 ELANE (0.33) ELANECHRNB2CHRNA4CYP2E1CYP2A6

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 ELANE 2173/4885ALDH1A1 529/4885KDM4C 1560/4885
US-20220306607-A1 ALKYNYL-(HETEROARYL)-CARBOXAMIDE HCN1 INHIBITORS HCN1, HCN2, HCN3 ELANE 3489/4885ALDH1A1 197/4885KDM4C 2579/4885

“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.