Sugi Predict

Sugi Predict / Compounds / SCHEMBL24034875

SCHEMBL24034875

SCHEMBL24034875

CN(C)c1cnn(Cc2c(-c3ccc(Cl)cc3)nnn2C)c(=O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ MEN1 O00255 5/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ ALDH1A1 P00352 8/20 0.34
▸ USP2 O75604 6/20 0.34
▸ CYP1A2 P05177 6/20 0.34
▸ CASP1 P29466 6/20 0.34
▸ CASP7 P55210 6/20 0.34
▸ HIF1A Q16665 6/20 0.34
▸ HSD17B10 Q99714 5/20 0.34
▸ CYP2D6 P10635 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ BRCA1 P38398 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL24034828 0.85 GRIN2B (0.37) GRIN2B
SCHEMBL24034886 0.76 KMT2A (0.38) CCNCCDK8KMT2AALDH1A1GLA
SCHEMBL26099162 0.76 MAPT (0.37) MEN1KMT2ACYP1A2MAPTPOLB
SCHEMBL26095518 0.75 AXL (0.34) CCNCCDK8MEN1KMT2AMAPT
SCHEMBL28906121 0.73 CCNC (0.31) CCNCCDK8
SCHEMBL24034728 0.72 CCNC (0.31) CCNCCDK8
SCHEMBL26096872 0.72 CCNC (0.31) CCNCCDK8
SCHEMBL24034611 0.72 BRAF (0.33) CCNCCDK8CYP1A2CYP2D6TSHR
SCHEMBL24034796 0.70 L3MBTL1 (0.32) KMT2APOLBGRIN2B
SCHEMBL24034801 0.69 IDO1 (0.37) MEN1KMT2APOLBGRIN2BTDO2

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 8 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
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
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 CCNC 4320/4885CDK8 2382/4885MEN1 1011/4885

“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.