SCHEMBL30790705

SCHEMBL30790705

Cc1cc(NCC#N)ccc1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
CA9 Q16790 2/20 0.38
CA2 P00918 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TSHR P16473 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
PKM P14618 1/20 0.36
CA12 O43570 1/20 0.35
CA4 P22748 1/20 0.35
TP53 P04637 2/20 0.33
POLB P06746 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 2/20 0.32
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32
TYR P14679 1/20 0.31

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
SCHEMBL6554556 0.81 ALDH1A1 (0.41) HTTALDH1A1TSHRNPC1RAB9A
SCHEMBL4460260 0.77 ALDH1A1 (0.50) HTTALDH1A1TSHRNPC1RAB9A
SCHEMBL2766868 0.74 ALDH1A1 (0.45) ALDH1A1TSHRNPC1RAB9APKM
SCHEMBL21367256 0.74 ALDH1A1 (0.47) HTTALDH1A1TSHRMAPT
SCHEMBL848671 0.74 HTT (0.50) HTTALDH1A1NPC1RAB9APKM
SCHEMBL8979424 0.73 ABL1 (0.49) ALDH1A1
SCHEMBL10687660 0.73 MAPT (0.50) CA9CA2ALDH1A1TSHRNPC1
SCHEMBL30790740 0.71 HTT (0.47) HTTCA9CA2ALDH1A1POLB
SCHEMBL8096813 0.70 ALDH1A1 (0.41) ALDH1A1TSHRNPC1RAB9APKM
SCHEMBL28175286 0.70 ALDH1A1 (0.38) ALDH1A1TSHRNPC1RAB9APKM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260055108-A1 TRIAZINE COMPOUNDS AND USES THEREOF HUTCHMED LTD (CN) 2026-02-26 US disclosed
EP-4581032-A1 TRIAZINE COMPOUNDS AND USES THEREOF HUTCHMED Limited (CN) 2025-07-09 EP disclosed
WO-2024046457-A1 TRIAZINE COMPOUNDS AND USES THEREOF HUTCHMED LIMITED (CN) 2024-03-07 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 (1 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-20260055108-A1 TRIAZINE COMPOUNDS AND USES THEREOF CBR1, CNR1, CBR3 HTT 1926/4885CA9 753/4885CA2 429/4885

“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.