SCHEMBL24034889

SCHEMBL24034889

Cc1nnn(-c2ccc(Cl)cc2F)c1CO

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.41
BRD2 P25440 4/20 0.41
BRD3 Q15059 3/20 0.41
NOTUM Q6P988 3/20 0.40
GABRB3 P28472 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TLR8 Q9NR97 1/20 0.36
KMT2A Q03164 1/20 0.34
PHGDH O43175 1/20 0.34
LMNA P02545 1/20 0.34
GRM5 P41594 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
SCHEMBL30111763 1.00 BRD4 (0.41) BRD4BRD2BRD3NOTUMGABRB3
SCHEMBL30111768 1.00 BRD4 (0.41) BRD4BRD2BRD3NOTUMGABRB3
SCHEMBL12530565 0.81 NPC1 (0.47) BRD4BRD2BRD3NOTUMGABRB3
SCHEMBL2687696 0.80 KCNN4 (0.50) NOTUMKMT2A
SCHEMBL21834180 0.76 NOTUM (0.62) BRD4BRD2BRD3NOTUMNPC1
SCHEMBL31274376 0.74 NOTUM (0.34) NOTUMGABRB3
SCHEMBL28906175 0.74 ALDH1A1 (0.51) BRD4BRD2BRD3LMNA
SCHEMBL30261931 0.73 L3MBTL1 (0.32)
SCHEMBL24034796 0.72 L3MBTL1 (0.32) KMT2A
SCHEMBL25045453 0.71 NOTUM (0.42) NOTUMGABRB3

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 4 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 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 BRD4 1577/4885BRD2 2146/4885BRD3 1440/4885

“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.