SCHEMBL30408417

SCHEMBL30408417

N#Cc1cccc2c[nH]nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.41
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ MAP2K1 Q02750 1/20 0.39
▸ PLAU P00749 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ GRM4 Q14833 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ MCL1 Q07820 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SLC40A1 Q9NP59 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SOS2 Q07890 1/20 0.33
▸ NFATC1 O95644 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
Hydrochloric Acid SCHEMBL30557203 0.98 HTT (0.40) HTTCA1CA2MAP2K1PLAU
SCHEMBL1661233 0.79 CA1 (0.39) HTTCA1CA2KDM4EMAPT
SCHEMBL31317126 0.74 KDM4E (0.33) KDM4EMAPTALDH1A1
SCHEMBL19152469 0.69 NOS1 (0.39) MAP2K1MAPTALDH1A1GAADYRK1A
SCHEMBL3364506 0.69 BACE1 (0.44) HTTKDM4EMAPTGAAMAPK1
SCHEMBL13454727 0.69 PDE3B (0.42) KDM4EALDH1A1GAA
SCHEMBL13724990 0.69 CYP3A4 (0.38) KDM4EL3MBTL1MAPTALDH1A1GAA
SCHEMBL27242624 0.69 SMN1; SMN2 (0.37) KDM4EL3MBTL1MAPTALDH1A1GAA
SCHEMBL1341511 0.68 SLC40A1 (0.55) HTTCA1CA2PLAUKDM4E
SCHEMBL29398699 0.68 SLC40A1 (0.55) HTTCA1CA2PLAUKDM4E

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
EP-3814360-B1 HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2024-10-02 — — EP claimed
EP-3814345-B1 HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2024-09-25 — — EP claimed
US-20250353841-A1 HETEROCYCLIC COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HUFF SARAH ELIZABETH (US) 2025-11-20 — — US disclosed
US-12139499-B2 Heteroaryl compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2024-11-12 — — US disclosed
US-11685746-B2 Heteroaryl compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2023-06-27 — — US disclosed
CN-116348453-A Heteroaromatic carboxamide compounds and uses thereof 烨辉医药科技(上海)有限公司 2023-06-27 — — CN 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 (3 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-20250353841-A1 HETEROCYCLIC COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, ATXN2 HTT 1/4885CA1 3920/4885CA2 3803/4885
US-12139499-B2 Heteroaryl compounds for treating Huntington's disease HTT, HYPK, HDAC6 HTT 1/4885CA1 3640/4885CA2 3795/4885
US-11685746-B2 Heteroaryl compounds for treating Huntington's disease HTT, HYPK, HDAC6 HTT 1/4885CA1 3421/4885CA2 4028/4885

“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.

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