SCHEMBL1220355

SCHEMBL1220355

COCCNc1cc(-n2cc(C)c3c2CCCC3=O)ccc1C(N)=O

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 17/20 0.66
HSP90AB1 P08238 11/20 0.66
TRAP1 Q12931 6/20 0.51
HSP90B1 P14625 5/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 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
SCHEMBL1219478 0.87 HSP90AA1 (0.61) HSP90AA1HSP90AB1TRAP1HSP90B1HDAC1
SCHEMBL1220230 0.85 HSP90AB1 (0.67) HSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL1219473 0.84 HSP90AA1 (0.62) HSP90AA1HSP90AB1TRAP1HSP90B1HDAC1
SCHEMBL1219312 0.83 HSP90AA1 (0.55) HSP90AA1HSP90AB1TRAP1HSP90B1HDAC1
SCHEMBL1218933 0.82 HSP90AA1 (0.69) HSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL1221132 0.80 HSP90AA1 (0.53) HSP90AA1HSP90AB1TRAP1HSP90B1MEN1
SCHEMBL1220822 0.80 HSP90AA1 (0.74) HSP90AA1HSP90AB1HDAC1HDAC6
SCHEMBL19112807 0.80 HSP90AA1 (0.65) HSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL15604108 0.80 HSP90AA1 (0.53) HSP90AA1HSP90AB1TRAP1HSP90B1HDAC1
SCHEMBL1220836 0.80 HSP90AA1 (0.57) HSP90AA1HSP90AB1POLB

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 64 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
EP-2380879-B1 Tetrahydroindolone and tetrahydroindazolone derivatives ESANEX INC (US) 2017-07-12 EP claimed
US-20150328188-A1 Combination Therapies for the Treatment of Proliferative Disorders ORLEMANS EVERARDUS O (US) 2015-11-19 US claimed
US-20140343037-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. 2014-11-20 US claimed
EP-1856057-B1 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX INC (US) 2014-10-15 EP claimed
US-20130137686-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. 2013-05-30 US claimed
US-8309548-B2 Benzene, pyridine, and pyridazine derivatives SERENEX, INC. (US) 2012-11-13 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-20090163493-A9 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor SERENEX, INC. 2009-06-25 US claimed
EP-2069325-A2 ISOQUINOLINE, QUINAZOLINE AND PHTHALAZINE DERIVATIVES Serenex, Inc. (US) 2009-06-17 EP claimed
JP-2008531599-A 2008-08-14 JP claimed
CN-101180275-A Tetrahydroindolone and tetrahydroindazolone derivatives SERENEX INC (US) 2008-05-14 CN claimed
US-20080096887-A1 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor SERENEX, INC. 2008-04-24 US claimed
US-20080070935-A1 Isoquinoline, Quinazoline and Phthalazine Derivatives ESANEX, INC. 2008-03-20 US claimed
WO-2008024977-A2 ISOQUINOLINE, QUINAZOLINE AND PHTHALAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO 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

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-20130137686-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 HSP90AA1 3912/4885HSP90AB1 3419/4885TRAP1 3694/4885
US-20090163493-A9 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor HSP90AA1, HSP90AB1, HSPA4 HSP90AA1 1/4885HSP90AB1 2/4885TRAP1 61/4885
US-20080070935-A1 Isoquinoline, Quinazoline and Phthalazine Derivatives H1-5, NDUFS5, IL5 HSP90AA1 3995/4885HSP90AB1 3993/4885TRAP1 4059/4885
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 HSP90AA1 3912/4885HSP90AB1 3419/4885TRAP1 3694/4885
US-20080096887-A1 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor HSP90AA1, HSP90AB1, HSPA4 HSP90AA1 1/4885HSP90AB1 2/4885TRAP1 61/4885
US-20150328188-A1 Combination Therapies for the Treatment of Proliferative Disorders HSP90AB1, HSP90B1, CDC37 HSP90AA1 4/4885HSP90AB1 1/4885TRAP1 24/4885
US-20140343037-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 HSP90AA1 3912/4885HSP90AB1 3419/4885TRAP1 3694/4885
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 HSP90AA1 4/4885HSP90AB1 3/4885TRAP1 32/4885
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 HSP90AA1 3912/4885HSP90AB1 3419/4885TRAP1 3694/4885

“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.