SCHEMBL23290232

SCHEMBL23290232

CN1CCC(c2nc3ccc(-c4ccc5nn(C)cc5c4)cc3s2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.42
PIK3CA P42336 4/20 0.42
PIK3CB P42338 4/20 0.42
PI4KA P42356 4/20 0.42
PIK3CG P48736 4/20 0.42
PI4KB Q9UBF8 4/20 0.42
ROCK2 O75116 5/20 0.40
HTT P42858 1/20 0.39
APP P05067 1/20 0.38
UBE2M P61081 3/20 0.38
DCUN1D1 Q96GG9 3/20 0.38
ALDH1A1 P00352 2/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
GRM2 Q14416 1/20 0.38
TP53 P04637 1/20 0.38
CHRM1 P11229 1/20 0.38
PIP5K1C O60331 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL23290679 0.87 MEN1 (0.51) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL23290275 0.84 MEN1 (0.47) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
Hydrochloric Acid SCHEMBL23290175 0.83 MEN1 (0.46) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL23290394 0.82 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL23290362 0.81 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL23290775 0.81 APP (0.46) HTTAPPGAA
Hydrochloric Acid SCHEMBL23290158 0.81 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL23290495 0.81 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
Hydrochloric Acid SCHEMBL23803114 0.81 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
Hydrochloric Acid SCHEMBL23803112 0.80 APP (0.45) HTTAPPGAA

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
CN-112805280-B Heteroaryl compounds for the treatment of huntington's disease PTC医疗公司 2024-12-06 CN claimed
US-12139499-B2 Heteroaryl compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2024-11-12 US claimed
EP-3814345-B1 HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2024-09-25 EP claimed
US-20210284660-A1 HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2021-09-16 US claimed
CN-112805280-A Heteroaryl compounds for the treatment of huntington's disease PTC医疗公司 2021-05-14 CN claimed
EP-3814345-A1 HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC Therapeutics, Inc. (US) 2021-05-05 EP claimed
US-12139499-B2 Heteroaryl compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2024-11-12 US disclosed
EP-3814345-B1 HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2024-09-25 EP disclosed
US-20210284660-A1 HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2021-09-16 US disclosed
US-20210284660-A1 HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2021-09-16 US disclosed
EP-3814345-A1 HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC Therapeutics, Inc. (US) 2021-05-05 EP 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-12139499-B2 Heteroaryl compounds for treating Huntington's disease HTT, HYPK, HDAC6 PIK3CD 4000/4885PIK3CA 3279/4885PIK3CB 3336/4885
US-20210284660-A1 HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, HDAC6 PIK3CD 4000/4885PIK3CA 3279/4885PIK3CB 3336/4885

“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.