SCHEMBL10052155

SCHEMBL10052155

CC(C)c1nc(-c2ccccc2)co1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 7/20 0.45
ENPP1 P22413 5/20 0.45
HSD11B1 P28845 2/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
DAGLA Q9Y4D2 1/20 0.37

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
SCHEMBL21180807 0.85 ENPP3 (0.43) ENPP3ENPP1HSD11B1MEN1KMT2A
SCHEMBL6668389 0.85 ENPP3 (0.43) ENPP3ENPP1HSD11B1MEN1KMT2A
SCHEMBL30765909 0.85 ENPP3 (0.43) ENPP3ENPP1HSD11B1MEN1KMT2A
SCHEMBL17516272 0.83 ENPP3 (0.59) ENPP3ENPP1ADRB2ADRB1ADRB3
SCHEMBL13848629 0.82 ENPP3 (0.44) ENPP3ENPP1HSD11B1MEN1KMT2A
SCHEMBL3991408 0.81 ENPP3 (0.41) ENPP3ENPP1ADRB2ADRB1ADRB3
SCHEMBL5809917 0.81 ENPP3 (0.41) ENPP3ENPP1ADRB2ADRB1ADRB3
SCHEMBL24623245 0.81 ADRB2 (0.50) ADRB2ADRB1ADRB3RAB9AALDH1A1
SCHEMBL17922235 0.81 ENPP3 (0.56) ENPP3ENPP1RAB9AMAPTKDM4E
SCHEMBL13744630 0.80 ENPP3 (0.42) ENPP3ENPP1HSD11B1MEN1KMT2A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025879-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. 2024-01-25 US disclosed
US-20240025879-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. 2024-01-25 US disclosed
US-11873290-B2 2024-01-16 US disclosed
US-11873290-B2 2024-01-16 US disclosed
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 US disclosed
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 US disclosed
EP-4248973-A2 PYRIDAZINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. (US) 2023-09-27 EP disclosed
EP-3877376-B1 PYRIDAZINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS INC (US) 2023-08-23 EP disclosed
US-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-07 US disclosed
US-11332463-B2 Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors MERCK SHARP & DOHME CORP. (US) 2022-05-17 US disclosed
US-20210188814-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-06-24 US disclosed
US-20210070745-A1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2021-03-11 US disclosed
US-20180170941-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT HAGER BIOSCIENCES 2018-06-21 US disclosed
US-9024018-B2 3-substituted-8-substituted-3H-imidazo[5,1-d][1,2,3,5]tetrazin-4-one compounds and their use PHARMINOX LIMITED (GB) 2015-05-05 US disclosed
US-8344180-B2 Hydrazine amide derivative SHIONOGI & CO., LTD. (JP) 2013-01-01 US disclosed
US-20120083513-A1 3-Substituted-8-Substituted-3H-Imidazo[5,1-d][1,2,3,5]tetrazin-4-one Compounds and Their Use PHARMINOX LIMITED (GB) 2012-04-05 US disclosed
US-20120083513-A1 3-Substituted-8-Substituted-3H-Imidazo[5,1-d][1,2,3,5]tetrazin-4-one Compounds and Their Use PHARMINOX LIMITED (GB) 2012-04-05 US disclosed
US-20120009141-A1 FUNCTIONALIZED PYRROLIDINES AND USE THEREOF AS IAP INHIBITORS PHARMASCIENCE INC. (CA) 2012-01-12 US disclosed
US-7662971-B2 enzyme inhibitor for treating sleep disorders THE SCRIPPS RESEARCH INSTITUTE (US) 2010-02-16 US disclosed
US-20100004295-A1 Hydrazine amide derivative SHIONOGI & CO., LTD. 2010-01-07 US 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 (11 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-20120083513-A1 3-Substituted-8-Substituted-3H-Imidazo[5,1-d][1,2,3,5]tetrazin-4-one Compounds and Their Use MKI67, CCNA1, CCNI ENPP3 3845/4885ENPP1 2998/4885HSD11B1 198/4885
US-20210188814-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF IL6, IL1B, IL1A ENPP3 878/4885ENPP1 256/4885HSD11B1 2655/4885
US-11332463-B2 Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors CHRNA7, CHRNA5, CHRNA6 ENPP3 692/4885ENPP1 506/4885HSD11B1 2220/4885
US-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use ITGB1, ITGB2, ITGA2 ENPP3 849/4885ENPP1 446/4885HSD11B1 3214/4885
US-20230348369-A1 NAMPT MODULATORS NAMPT, NNT, NAPRT ENPP3 527/4885ENPP1 130/4885HSD11B1 853/4885
US-20210070745-A1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA5, CHRNA6 ENPP3 692/4885ENPP1 506/4885HSD11B1 2220/4885
US-11873290-B2 IL6, MUSK, IL6ST ENPP3 947/4885ENPP1 370/4885HSD11B1 2665/4885
US-20120009141-A1 FUNCTIONALIZED PYRROLIDINES AND USE THEREOF AS IAP INHIBITORS BIRC5, BIRC7, BIRC2 ENPP3 3081/4885ENPP1 1931/4885HSD11B1 4201/4885
US-20100004295-A1 Hydrazine amide derivative NPY5R, NPY1R, NPY2R ENPP3 4071/4885ENPP1 4106/4885HSD11B1 2000/4885
US-20180170941-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT GRM5, GABRA5, GABRE ENPP3 4659/4885ENPP1 4616/4885HSD11B1 477/4885
US-20240025879-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF IL6, IL1B, IL1A ENPP3 878/4885ENPP1 256/4885HSD11B1 2655/4885

“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.