SCHEMBL24034784

SCHEMBL24034784

C[C@@H]1CN(c2cnn(Cc3c(-c4ccc(Cl)nc4)nnn3C)c(=O)c2)C[C@H](C)O1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
PDE1B Q01064 1/20 0.34
MET P08581 1/20 0.32
SYK P43405 1/20 0.32
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LRRK2 Q5S007 2/20 0.30
ALDH1A1 P00352 2/20 0.30
WNT3A P56704 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
KCNH2 Q12809 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
LMNA P02545 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
SCHEMBL26097710 0.90 AOC3 (0.35) PDE1BMETSYKMAPTRAB9A
SCHEMBL30111790 0.90 AOC3 (0.35) PDE1BMETSYKMAPTRAB9A
SCHEMBL24034765 0.90 AOC3 (0.35) PDE1BMETSYKMAPTRAB9A
SCHEMBL24034602 0.90 AOC3 (0.35) PDE1BMETSYKMAPTRAB9A
SCHEMBL24034886 0.90 KMT2A (0.38) KMT2APDE1BMETRAB9AL3MBTL1
SCHEMBL24034716 0.82 HRH3 (0.38) ALDH1A1KCNH2HRH3
SCHEMBL26095291 0.81 KMT2A (0.34) KMT2APDE1BRAB9AALDH1A1SMN1; SMN2
SCHEMBL24034795 0.81 KMT2A (0.34) KMT2APDE1BRAB9AALDH1A1SMN1; SMN2
SCHEMBL24034722 0.81 GRM2 (0.36) PDE1BMETMAPK1L3MBTL1ALDH1A1
SCHEMBL21593268 0.81 GABRA1 (0.37) KMT2APDE1BALDH1A1LMNA

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 10 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-A1 NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM F. Hoffmann-La Roche AG (CH) 2023-03-22 EP claimed
CN-115461337-A Novel triazolyl derivatives as GABA A alpha 5 PAM 豪夫迈·罗氏有限公司 2022-12-09 CN 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
EP-4149933-A1 NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM F. Hoffmann-La Roche AG (CH) 2023-03-22 EP disclosed
CN-115461337-A Novel triazolyl derivatives as GABA A alpha 5 PAM 豪夫迈·罗氏有限公司 2022-12-09 CN 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 KMT2A 1504/4885PDE1B 1102/4885MET 1773/4885

“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.