SCHEMBL24034765

SCHEMBL24034765

Cc1ccc(-c2nnn(C)c2Cn2ncc(N3C[C@@H](C)O[C@@H](C)C3)cc2=O)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.35
PDE1B Q01064 1/20 0.34
WNT3A P56704 1/20 0.34
SYK P43405 1/20 0.33
MET P08581 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 3/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
LRRK2 Q5S007 3/20 0.31
HTR2A P28223 2/20 0.30
HTR2B P41595 2/20 0.30
MRGPRX1 Q96LB2 2/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
HTR2C P28335 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
SCHEMBL24034602 1.00 AOC3 (0.35) AOC3PDE1BWNT3ASYKMET
SCHEMBL26097710 1.00 AOC3 (0.35) AOC3PDE1BWNT3ASYKMET
SCHEMBL30111790 1.00 AOC3 (0.35) AOC3PDE1BWNT3ASYKMET
SCHEMBL24034784 0.90 KMT2A (0.34) PDE1BWNT3ASYKMETMAPT
SCHEMBL24034886 0.87 KMT2A (0.38) PDE1BMETRAB9AALDH1A1L3MBTL1
SCHEMBL24034714 0.86 HTR2A (0.35) MAPTALDH1A1L3MBTL1LMNAHTR2A
SCHEMBL24034713 0.85 L3MBTL1 (0.47) SYKMETALDH1A1L3MBTL1HTR2A
SCHEMBL24034601 0.84 HTR2A (0.36) L3MBTL1HTR2AHTR2BMRGPRX1HTR2C
SCHEMBL24034600 0.83 L3MBTL1 (0.37) PDE1BL3MBTL1LRRK2HTR2AHTR2B
SCHEMBL24034899 0.81 HRH3 (0.37) MAPK1

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-4149933-B1 NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN LA ROCHE (CH) 2024-06-12 EP claimed
EP-4149933-B1 NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN LA ROCHE (CH) 2024-06-12 EP disclosed
US-20230135093-A1 TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-05-04 US disclosed
US-20230135093-A1 TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-05-04 US disclosed
US-20230135093-A1 TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-05-04 US disclosed
WO-2021228795-A1 NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM F. HOFFMANN-LA ROCHE AG (CH) 2021-11-18 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-20230135093-A1 TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRA3, GABRB3 AOC3 1286/4885PDE1B 1102/4885WNT3A 3376/4885

“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.