SCHEMBL1220320

SCHEMBL1220320

CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C#N)c(Br)c3)c2C1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 6/20 0.57
OPRM1 P35372 10/20 0.53
HSP90AA1 P07900 3/20 0.50
HSP90B1 P14625 1/20 0.50
TRAP1 Q12931 1/20 0.50
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
OPRK1 P41145 3/20 0.42
OPRD1 P41143 2/20 0.42
CYP11B2 P19099 2/20 0.38

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
SCHEMBL24347884 0.89 HSP90AB1 (0.58) HSP90AB1OPRM1HSP90AA1HSP90B1TRAP1
SCHEMBL1219080 0.85 OPRM1 (0.66) HSP90AB1OPRM1HSP90AA1OPRK1OPRD1
SCHEMBL1220212 0.84 HSP90AB1 (0.50) HSP90AB1OPRM1HSP90AA1OPRK1OPRD1
SCHEMBL27977070 0.83 HSP90AB1 (0.57) HSP90AB1OPRM1HSP90AA1HSP90B1TRAP1
SCHEMBL3627633 0.83 HSP90AB1 (0.56) HSP90AB1OPRM1HSP90AA1OPRK1OPRD1
SCHEMBL20648826 0.83 HSP90AB1 (0.64) HSP90AB1OPRM1HSP90AA1HSP90B1TRAP1
SCHEMBL1394304 0.82 GRIA2 (0.39) HSP90AB1
SCHEMBL5001569 0.81 HSP90AB1 (0.52) HSP90AB1OPRM1HSP90AA1HSP90B1TRAP1
SCHEMBL3633261 0.81 HSP90AB1 (0.52) HSP90AB1OPRM1HSP90AA1HSP90B1TRAP1
SCHEMBL27196733 0.80 HSP90AB1 (0.61) HSP90AB1OPRM1HSP90AA1HSP90B1TRAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2020-03-05 US claimed
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2017-09-14 US claimed
US-20140343037-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. 2014-11-20 US claimed
US-20130137686-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. 2013-05-30 US claimed
EP-2380879-A1 Tetrahydroindolone and tetrahydroindazolone derivatives Serenex, Inc. (US) 2011-10-26 EP claimed
US-20110252835-A1 HEAT PUMP (SERVER) COUPLED WASHER AND DRYER PAIR WHIRLPOOL CORPORATION (US) 2011-10-20 US claimed
US-20110183977-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2011-07-28 US claimed
JP-4377942-B2 2009-12-02 JP claimed
JP-2008531599-A 2008-08-14 JP claimed
CN-101180275-A Tetrahydroindolone and tetrahydroindazolone derivatives SERENEX INC (US) 2008-05-14 CN claimed
EP-1856057-A1 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES Serenex, Inc. (US) 2007-11-21 EP claimed
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 claimed
WO-2006091963-A1 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2006-08-31 WO claimed
US-20240124460-A1 METHODS AND COMPOSITIONS FOR TARGETED PROTEIN DEGRADATION RANOK THERAPEUTICS (HANGZHOU) CO. LTD. (CN) 2024-04-18 US disclosed
CN-117820416-A Hsp90PROTAC compound, preparation method thereof and application thereof in preparation of anti-cervical cancer drugs 武汉大学 2024-04-05 CN disclosed
US-20230391792-A1 METHODS AND COMPOSITIONS FOR TARGETED PROTEIN DEGRADATION RANOK THERAPEUTICS (HANGZHOU) CO. LTD. (CN) 2023-12-07 US disclosed
EP-1856057-A1 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES Serenex, Inc. (US) 2007-11-21 EP disclosed
US-20070207984-A1 Cyclohexylamino Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2007-09-06 US 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
WO-2006091963-A1 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2006-08-31 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 (9 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-20230391792-A1 METHODS AND COMPOSITIONS FOR TARGETED PROTEIN DEGRADATION PSMG3, PSMC2, PSMB11 HSP90AB1 73/4885OPRM1 4301/4885HSP90AA1 85/4885
US-20130137686-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 HSP90AB1 3419/4885OPRM1 2755/4885HSP90AA1 3912/4885
US-20070207984-A1 Cyclohexylamino Benzene, Pyridine, and Pyridazine Derivatives HRH4, P2RX4, CDK4 HSP90AB1 2805/4885OPRM1 2119/4885HSP90AA1 3248/4885
US-20240124460-A1 METHODS AND COMPOSITIONS FOR TARGETED PROTEIN DEGRADATION PSMG3, PSMC2, PSMA6 HSP90AB1 114/4885OPRM1 4190/4885HSP90AA1 135/4885
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 HSP90AB1 3419/4885OPRM1 2755/4885HSP90AA1 3912/4885
US-20140343037-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 HSP90AB1 3419/4885OPRM1 2755/4885HSP90AA1 3912/4885
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 HSP90AB1 3/4885OPRM1 3870/4885HSP90AA1 4/4885
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 HSP90AB1 3419/4885OPRM1 2755/4885HSP90AA1 3912/4885
US-20110183977-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 HSP90AB1 3419/4885OPRM1 2755/4885HSP90AA1 3912/4885

“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.