SCHEMBL26096641

SCHEMBL26096641

Cn1cc(-c2ccc(Cl)cc2F)nn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.44
KMO O15229 2/20 0.41
GRM2 Q14416 7/20 0.41
CYP2C9 P11712 1/20 0.41
BRD4 O60885 2/20 0.38
EGLN2 Q96KS0 1/20 0.38
TP53 P04637 1/20 0.37
MDM2 Q00987 1/20 0.37
CASP6 P55212 1/20 0.37
LGALS3 P17931 1/20 0.36
KDR P35968 1/20 0.36
EPHB4 P54760 1/20 0.36
TEK Q02763 1/20 0.36

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
SCHEMBL26098881 0.83 TP53 (0.51) HSD11B1KMOBRD4TP53MDM2
SCHEMBL16982963 0.82 HSD11B1 (0.45) HSD11B1BRD4
SCHEMBL26097001 0.80 TP53 (0.46) HSD11B1KMOGRM2CYP2C9TP53
SCHEMBL26097390 0.78 HSD11B1 (0.48) HSD11B1GRM2
SCHEMBL19412822 0.78 BRD4 (0.39) HSD11B1BRD4CASP6
SCHEMBL17661913 0.78 IRAK4 (0.38) HSD11B1BRD4
SCHEMBL26096655 0.78 TP53 (0.44) HSD11B1KMOGRM2CYP2C9TP53
SCHEMBL11687575 0.77 IDO1 (0.46) HSD11B1BRD4
SCHEMBL2688099 0.76 BRD4 (0.51) HSD11B1BRD4CASP6KDREPHB4
SCHEMBL31227202 0.76 KDM4E (0.43) BRD4TP53MDM2

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
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

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 HSD11B1 2561/4885KMO 706/4885GRM2 64/4885

“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.