SCHEMBL9822779

SCHEMBL9822779

CC(=O)c1ccc2nc(C)c(C)nc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.72
CYP2A6 P11509 1/20 0.48
ALDH1A1 P00352 9/20 0.48
RAB9A P51151 7/20 0.48
MAPT P10636 6/20 0.48
NPC1 O15118 5/20 0.48
KDM4E B2RXH2 7/20 0.47
KMT2A Q03164 4/20 0.47
HPGD P15428 5/20 0.47
GAA P10253 3/20 0.47
MEN1 O00255 3/20 0.47
GLA P06280 1/20 0.45
KLK7 P49862 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
SLC2A1 P11166 1/20 0.44
LMNA P02545 1/20 0.44
PABPC1 P11940 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL18511345 0.89 TDP1 (0.59) TDP1CYP2A6ALDH1A1RAB9AMAPT
SCHEMBL13754210 0.88 TDP1 (0.57) TDP1CYP2A6ALDH1A1RAB9AMAPT
SCHEMBL26260604 0.85 NPC1 (0.62) TDP1ALDH1A1RAB9AMAPTNPC1
SCHEMBL30134116 0.85 TDP1 (0.54) TDP1CYP2A6ALDH1A1RAB9AMAPT
SCHEMBL31133324 0.84 TDP1 (1.00) TDP1ALDH1A1RAB9AMAPTNPC1
SCHEMBL4348032 0.84 TDP1 (1.00) TDP1ALDH1A1RAB9AMAPTNPC1
SCHEMBL19622430 0.82 TDP1 (0.70) TDP1ALDH1A1RAB9AMAPTNPC1
SCHEMBL9091793 0.82 TDP1 (0.50) TDP1CYP2A6ALDH1A1RAB9AMAPT
SCHEMBL9822932 0.79 CYP2A6 (0.49) TDP1CYP2A6ALDH1A1RAB9AMAPT
SCHEMBL9823025 0.79 NPC1 (0.75) TDP1ALDH1A1RAB9AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119119033-A Pyrazolopyridone compounds 百济神州有限公司 2024-12-13 CN disclosed
US-20240300951-A1 Pyrazolopyridinone Compounds BEIGENE LTD. (KY) 2024-09-12 US disclosed
US-20240270751-A1 Pyrazolopyridinone Compounds BEIGENE LTD. (KY) 2024-08-15 US disclosed
EP-4380936-A1 PYRAZOLOPYRIDINONE COMPOUNDS BeiGene, Ltd. (KY) 2024-06-12 EP disclosed
CN-117836296-A Pyrazolopyridone compounds 百济神州有限公司 2024-04-05 CN disclosed
WO-2023173026-A1 ANTIBODY-DRUG CONJUGATES AND USES THEREOF SORRENTO THERAPEUTICS, INC. (US) 2023-09-14 WO disclosed
WO-2023011456-A1 PYRAZOLOPYRIDINONE COMPOUNDS BEIGENE, LTD. (KY) 2023-02-09 WO disclosed
US-20170047592-A1 MOLECULARLY TUNABLE HETEROGENEOUS CATALYSTS BY EDGE FUNCTIONALIZATION OF GRAPHITIC CARBONS UNITED STATES DEPARTMENT OF ENERGY 2017-02-16 US disclosed
US-9540765-B2 Mixtures of reactive dyes and their use in a method of di- or trichromatic dyeing or printing HUNTSMAN INTERNATIONAL LLC (US) 2017-01-10 US disclosed
US-9346958-B2 Reactive dyes, their preparation and their use HUNTSMAN INTERNATIONAL LLC (US) 2016-05-24 US disclosed
US-20150354134-A1 Mixtures of Reactive Dyes and Their Use in a Method of Di- or Trichromatic Dyeing or Printing HUNTSMAN INTERNATIONAL LLC 2015-12-10 US disclosed
US-20150143639-A1 Reactive Dyes, Their Preparation and Their Use HUNTSMAN INTERNATIONAL LLC 2015-05-28 US disclosed
US-8348412-B2 Reactive dyes, their preparation and their use HUNTSMAN INTERNATIONAL LLC (US) 2013-01-08 US disclosed
US-20110285781-A1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE HUNTSMAN INTERNATIONAL LLC (US) 2011-11-24 US disclosed
EP-0288898-B1 SUBSTITUTED CHINOXALYL-IMIDAZOLIDINE-2,4-DIONES, PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND PHARMACOLOGICAL PREPARATIONS HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-14 EP disclosed
US-4943576-A ENZYME INHIBITORS HOECHST AKTIENGESELLSCHAFT (DE) 1990-07-24 US disclosed
EP-0288898-A1 Substituted chinoxalyl-imidazolidine-2,4-diones, process for their preparation, their use as medicaments and pharmacological preparations HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-02 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 (4 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-20170047592-A1 MOLECULARLY TUNABLE HETEROGENEOUS CATALYSTS BY EDGE FUNCTIONALIZATION OF GRAPHITIC CARBONS APEX1, SCO2, EHMT2 TDP1 2009/4885CYP2A6 3444/4885ALDH1A1 2305/4885
US-20150143639-A1 Reactive Dyes, Their Preparation and Their Use H1-2, H1-3, H1-4 TDP1 2847/4885CYP2A6 2068/4885ALDH1A1 1621/4885
US-20240300951-A1 Pyrazolopyridinone Compounds NFATC1, CD4, PBK TDP1 959/4885CYP2A6 3696/4885ALDH1A1 1296/4885
US-20240270751-A1 Pyrazolopyridinone Compounds NFATC1, CD4, PBK TDP1 959/4885CYP2A6 3696/4885ALDH1A1 1296/4885

“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.