SCHEMBL23292013

SCHEMBL23292013

Cn1cc2cc(C(=O)CBr)cc(C#N)c2n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.38
KDM1A O60341 3/20 0.34
PTPN1 P18031 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
CSNK1D P48730 1/20 0.32
CSNK1E P49674 1/20 0.32
PIK3CD O00329 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL23292108 0.74 KDM4E (0.34) MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL23292069 0.74 GPR35 (0.33)
SCHEMBL24054845 0.72 PTPN1 (0.37) GSK3BPTPN1
SCHEMBL30928492 0.71 IRAK4 (0.32) IRAK4
SCHEMBL7368979 0.69 GSK3B (0.47) GSK3BPTPN1LMNAHTTSMN1; SMN2
SCHEMBL31620438 0.69 MAPT (0.48) MEN1LMNAHTTKMT2ASMN1; SMN2
SCHEMBL18629884 0.67 GSK3B (0.45) GSK3BPTPN1MEN1KMT2A
SCHEMBL23317589 0.66 GSK3B (0.44) GSK3BPTPN1LMNAKMT2A
SCHEMBL4086060 0.65 HTT (0.48) GSK3BPTPN1HTT
SCHEMBL22242886 0.65 GSK3B (0.46) GSK3BPTPN1MEN1KMT2A

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 disclosed
US-11685746-B2 Heteroaryl compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2023-06-27 US disclosed
US-11685746-B2 Heteroaryl compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2023-06-27 US disclosed
US-11685746-B2 Heteroaryl compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2023-06-27 US disclosed
US-20210380603-A1 HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2021-12-09 US disclosed
EP-3814360-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-20210380603-A1 HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, HDAC6 GSK3B 1168/4885KDM1A 3212/4885PTPN1 4338/4885
US-11685746-B2 Heteroaryl compounds for treating Huntington's disease HTT, HYPK, HDAC6 GSK3B 1168/4885KDM1A 3212/4885PTPN1 4338/4885

“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.