SCHEMBL1220108

SCHEMBL1220108

Cc1c[nH]c2c1C(=O)CC(C)(C)C2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.42
ALPL P05186 8/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.40
HPGD P15428 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 3/20 0.39
BRD4 O60885 2/20 0.39
KDM4E B2RXH2 1/20 0.38
BUB1 O43683 3/20 0.37
OPRM1 P35372 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL7663410 0.80 HSD17B10 (0.41) HSD17B10ALPLMAPK1MEN1KMT2A
SCHEMBL3629414 0.79 HSD17B10 (0.51) HSD17B10ALPLMAPK1MEN1KMT2A
SCHEMBL7665849 0.77 HSD17B10 (0.43) HSD17B10ALPLMAPK1MEN1KMT2A
SCHEMBL7661033 0.77 HSD17B10 (0.40) HSD17B10ALPLMAPK1MEN1KMT2A
SCHEMBL7672484 0.76 HSD17B10 (0.39) HSD17B10ALPLMAPK1MEN1KMT2A
SCHEMBL3630522 0.76 BUB1 (0.40) HSD17B10ALPLMAPK1MEN1KMT2A
SCHEMBL6767802 0.76 ALPL (0.39) HSD17B10ALPLMAPK1MEN1KMT2A
SCHEMBL9803233 0.75 HTT (0.44) HSD17B10ALPLMAPK1MEN1KMT2A
SCHEMBL7667971 0.74 HSD17B10 (0.43) HSD17B10ALPLMAPK1MEN1KMT2A
SCHEMBL11393685 0.74 ALPL (0.37) HSD17B10ALPLMAPK1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250197376-A1 PYRAZINE AMIDE DERIVATIVES NOVARTIS AG (CH) 2025-06-19 US disclosed
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2020-03-05 US disclosed
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2020-03-05 US disclosed
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2017-09-14 US disclosed
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2017-09-14 US disclosed
EP-2380879-B1 Tetrahydroindolone and tetrahydroindazolone derivatives ESANEX INC (US) 2017-07-12 EP disclosed
EP-2380879-B1 Tetrahydroindolone and tetrahydroindazolone derivatives ESANEX INC (US) 2017-07-12 EP disclosed
US-9656956-B2 Benzene, pyridine, and pyridazine derivatives ESANEX, INC. (US) 2017-05-23 US disclosed
US-9656956-B2 Benzene, pyridine, and pyridazine derivatives ESANEX, INC. (US) 2017-05-23 US disclosed
US-20150329493-A1 OMEGA-AMINO ACID DERIVATIVES OF BENZENE, PYRIDINE, AND PYRIDAZINE COMPOUNDS HALL STEVEN E (US) 2015-11-19 US disclosed
US-20080070935-A1 Isoquinoline, Quinazoline and Phthalazine Derivatives ESANEX, INC. 2008-03-20 US disclosed
US-20080070935-A1 Isoquinoline, Quinazoline and Phthalazine Derivatives ESANEX, INC. 2008-03-20 US disclosed
WO-2008024977-A2 ISOQUINOLINE, QUINAZOLINE AND PHTHALAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO disclosed
WO-2008024977-A2 ISOQUINOLINE, QUINAZOLINE AND PHTHALAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO disclosed
WO-2007101156-A1 CYCLOHEXYLAMINO, BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2007-09-07 WO disclosed
US-20070207984-A1 Cyclohexylamino Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2007-09-06 US disclosed
US-20070207984-A1 Cyclohexylamino Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2007-09-06 US disclosed
US-20070207984-A1 Cyclohexylamino Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2007-09-06 US disclosed
CN-1896060-A Tetrahydro-indolone and tetrahydro-indazolone derivatives and their use GUOYAO LONGLI BIOLOG MEDICAL N (CN) 2007-01-17 CN disclosed
US-20060211737-A1 Anticancer, inflammation, arthritis, angiogenesis, neurodegenerative diseases, fungal infections, malaria; Heat-shock protein 90 inhibitors; 4-(6,6-Dimethyl-4-oxo-3-methyl-4,5,6,7-tetrahydro-indazol-1-yl)-2-(3,4,5-trimethoxyanilino)-benzamide ESANEX, INC. 2006-09-21 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 (7 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-20150329493-A1 OMEGA-AMINO ACID DERIVATIVES OF BENZENE, PYRIDINE, AND PYRIDAZINE COMPOUNDS LTB4R, LTB4R2, PTGER4 HSD17B10 3633/4885ALPL 3865/4885MAPK1 982/4885
US-20070207984-A1 Cyclohexylamino Benzene, Pyridine, and Pyridazine Derivatives HRH4, P2RX4, CDK4 HSD17B10 3529/4885ALPL 3314/4885MAPK1 1206/4885
US-20080070935-A1 Isoquinoline, Quinazoline and Phthalazine Derivatives H1-5, NDUFS5, IL5 HSD17B10 3696/4885ALPL 589/4885MAPK1 1872/4885
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 HSD17B10 3780/4885ALPL 2081/4885MAPK1 1205/4885
US-20250197376-A1 PYRAZINE AMIDE DERIVATIVES SIRT5, GLS2, ARG2 HSD17B10 1067/4885ALPL 4594/4885MAPK1 2027/4885
US-20060211737-A1 Anticancer, inflammation, arthritis, angiogenesis, neurodegenerative diseases, fungal infections, malaria; Heat-shock protein 90 inhibitors; 4-(6,6-Dimethyl-4-oxo-3-methyl-4,5,6,7-tetrahydro-indazol-1-yl)-2-(3,4,5-trimethoxyanilino)-benzamide HSF1, HSPA4, HSP90AB1 HSD17B10 4158/4885ALPL 4849/4885MAPK1 314/4885
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 HSD17B10 3780/4885ALPL 2081/4885MAPK1 1205/4885

“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.