SCHEMBL6952309

SCHEMBL6952309

COc1cccc2nc(C(C)=O)[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 1/20 0.48
DYRK1A Q13627 1/20 0.48
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RECQL P46063 2/20 0.43
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
MCL1 Q07820 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
DAO P14920 1/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL24021017 0.88 CDK9 (0.54) CDK9DYRK1AMEN1KMT2ARECQL
SCHEMBL30310501 0.88 CDK9 (0.54) CDK9DYRK1AMEN1KMT2ARECQL
SCHEMBL25812916 0.84 CDK9 (0.45) CDK9DYRK1AMEN1KMT2ARECQL
SCHEMBL23835767 0.84 CDK9 (0.45) CDK9DYRK1AMEN1KMT2ARECQL
SCHEMBL23836116 0.81 TSHR (0.46) CDK9DYRK1AMEN1KMT2ARECQL
SCHEMBL25789988 0.80 MMP13 (0.50) CDK9DYRK1ATSHRMTNR1AMTNR1B
SCHEMBL28882676 0.79 BRPF1 (0.42) MEN1KMT2AGAAL3MBTL1KDM4E
SCHEMBL30831141 0.79 BRPF1 (0.42) MEN1KMT2AGAAL3MBTL1KDM4E
SCHEMBL4806969 0.78 HSD17B10 (0.37) MEN1KMT2AKDM4EPOLBMAPT
SCHEMBL6650617 0.77 CDK9 (0.46) CDK9DYRK1AMEN1KMT2ARECQL

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021252644-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-12-16 WO disclosed
EP-0944616-B1 BICYCLIC ARYL CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-06-04 EP disclosed
US-20020094987-A1 Bicyclic aryl carboxamides and their therapeutic use DYKE HAZEL JOAN (GB) 2002-07-18 US disclosed
US-6353010-B1 ENZYME INHIBITORS TUMOR NECROSIS FACTOR AND PHOSPHODIESTERASE FOR ANTIINFLAMMATORY AGENTS DARWIN DISCOVERY, LTD. (GB) 2002-03-05 US disclosed
EP-0944616-A1 BICYCLIC ARYL CARBOXAMIDES AND THEIR THERAPEUTIC USE Darwin Discovery Limited (GB) 1999-09-29 EP disclosed
WO-1998022460-A1 BICYCLIC ARYL CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LIMITED (GB) 1998-05-28 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-20020094987-A1 Bicyclic aryl carboxamides and their therapeutic use PDE3B, PDE3A, PDE2A CDK9 896/4885DYRK1A 4556/4885MEN1 3726/4885

“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.