SCHEMBL20056124

SCHEMBL20056124

Cn1ncc2cc(N)c(Cl)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
TRPM5 Q9NZQ8 1/20 0.41
MAOB P27338 3/20 0.40
GAA P10253 1/20 0.39
MAOA P21397 2/20 0.39
ACHE P22303 1/20 0.39
CDC7 O00311 1/20 0.38
MPO P05164 2/20 0.36
CASP6 P55212 1/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
CSNK1A1 P48729 1/20 0.36
GSK3A P49840 1/20 0.36
LIMK1 P53667 1/20 0.36
IKBKE Q14164 1/20 0.36
MAPK14 Q16539 1/20 0.36
TAOK1 Q7L7X3 1/20 0.36
CLK4 Q9HAZ1 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
SCHEMBL30463504 0.88 HTR2A (0.42) HTR2AHTR2CTRPM5MAOBGAA
SCHEMBL23531670 0.79 ATAD2 (0.44) TRPM5CDC7MPOCTNNB1TCF7
SCHEMBL29824722 0.79 ATAD2 (0.44) TRPM5CDC7MPOCTNNB1TCF7
SCHEMBL23070948 0.78 CDC7 (0.38) TRPM5CDC7MPOCHEK1AURKA
SCHEMBL24196291 0.78 MAOB (0.39) HTR2AHTR2CTRPM5MAOBMAOA
SCHEMBL21603505 0.76 ATAD2 (0.44) TRPM5CDC7MPOCTNNB1TCF7
SCHEMBL31251314 0.75 S100B (0.49) GAACDC7MPO
SCHEMBL27273989 0.75 MAOA (0.43) HTR2AHTR2CTRPM5MAOBMAOA
SCHEMBL24195801 0.74 MAOB (0.39) HTR2AHTR2CTRPM5MAOBMAOA
SCHEMBL31602858 0.74 HTR2A (0.41) HTR2AHTR2CTRPM5MAOBMAOA

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
CN-117003642-A Synthesis method of Ensitrelvir key intermediate 上海璨谊生物科技有限公司 2023-11-07 CN disclosed
US-11518764-B2 Substituted heteroaryls as inhibitors of the BCL6 BTB domain protein-protein interaction ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-12-06 US disclosed
US-11518764-B2 Substituted heteroaryls as inhibitors of the BCL6 BTB domain protein-protein interaction ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-12-06 US disclosed
EP-3749672-B1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RES OICR (CA) 2022-07-27 EP disclosed
US-20200331921-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2020-10-22 US disclosed
US-20200331921-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2020-10-22 US disclosed
WO-2019153080-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2019-08-15 WO disclosed
EP-3083586-B1 NOVEL CARBOXAMIDES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND USE THEREOF FOR PRODUCING MEDICAMENTS Bayer Pharma AG (DE) 2018-04-18 EP 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 (2 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-11518764-B2 Substituted heteroaryls as inhibitors of the BCL6 BTB domain protein-protein interaction BCL6, BCL6B, BCL3 HTR2A 4370/4885HTR2C 3948/4885TRPM5 4577/4885
US-20200331921-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF BCL6, BCL6B, BCL3 HTR2A 4620/4885HTR2C 4499/4885TRPM5 4623/4885

“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.