SCHEMBL23290458

SCHEMBL23290458

CN(c1nc2ccc(-c3ccc4nn(C)cc4c3)cc2s1)C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.42
PIK3CD O00329 5/20 0.41
PIK3CA P42336 5/20 0.41
PIK3CB P42338 5/20 0.41
PI4KA P42356 5/20 0.41
PIK3CG P48736 5/20 0.41
PI4KB Q9UBF8 5/20 0.41
KDM1A O60341 6/20 0.39
CXCR3 P49682 1/20 0.36
PIP5K1C O60331 1/20 0.34
WNT1 P04628 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MAT2A P31153 2/20 0.34
EBP Q15125 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34

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 SCHEMBL23290433 0.99 TLR8 (0.41) TLR8PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL23290608 0.94 PIK3CD (0.39) TLR8PIK3CDPIK3CAPIK3CBPI4KA
Hydrochloric Acid SCHEMBL23290909 0.93 PIK3CD (0.39) TLR8PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL31109831 0.88 KDM1A (0.40) TLR8KDM1AMAT2AFGFR1FGFR2
SCHEMBL23290159 0.88 KDM1A (0.40) TLR8PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL23290872 0.88 KDM1A (0.40) TLR8KDM1AMAT2AFGFR1FGFR2
SCHEMBL23290633 0.88 PIK3CD (0.38) TLR8PIK3CDPIK3CAPIK3CBPI4KA
Hydrochloric Acid SCHEMBL23290643 0.88 KDM1A (0.39) TLR8KDM1AMAT2AFGFR1FGFR2
Hydrochloric Acid SCHEMBL23290607 0.88 KDM1A (0.39) TLR8PIK3CDPIK3CAPIK3CBPI4KA
Hydrochloric Acid SCHEMBL31109798 0.88 KDM1A (0.39) TLR8KDM1AMAT2AFGFR1FGFR2

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 TLR8 4834/4885PIK3CD 4000/4885PIK3CA 3279/4885
US-20210284660-A1 HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, HDAC6 TLR8 4834/4885PIK3CD 4000/4885PIK3CA 3279/4885

“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.