SCHEMBL1219334

SCHEMBL1219334

CCCCOc1cc(C#N)ccc1-n1c(C)cc2c1CC(C)(C)CC2=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 4/20 0.43
MAPT P10636 2/20 0.41
HSP90AB1 P08238 4/20 0.39
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
THRB P10828 1/20 0.37
HSP90AA1 P07900 2/20 0.37
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
IDH1 O75874 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
SCHEMBL1220474 0.83 IDH1 (0.46) ALDH1A1MEN1KMT2ATP53HSP90AB1
SCHEMBL1220546 0.82 HSP90AA1 (0.45) ALDH1A1MEN1KMT2ATP53MAPT
SCHEMBL1220236 0.80 TP53 (0.43) ALDH1A1MEN1KMT2ATP53MAPT
SCHEMBL1220234 0.80 TP53 (0.42) ALDH1A1MEN1KMT2ATP53MAPT
SCHEMBL1219565 0.79 KMT2A (0.51) ALDH1A1MEN1KMT2ATP53HSP90AB1
SCHEMBL1218888 0.73 HSP90AA1 (0.61) ALDH1A1MEN1KMT2ATP53MAPT
SCHEMBL1220958 0.73 HSP90AA1 (0.44) ALDH1A1MEN1KMT2ATP53MAPT
SCHEMBL4581211 0.73 CYP11B2 (0.41) TP53MAPTIDH1
SCHEMBL1221129 0.73 HSP90AA1 (0.47) ALDH1A1MEN1KMT2ATP53MAPT
SCHEMBL1220437 0.72 HSP90AA1 (0.47) ALDH1A1MEN1KMT2ATP53MAPT

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 20 patents. 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 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
US-9656956-B2 Benzene, pyridine, and pyridazine derivatives ESANEX, INC. (US) 2017-05-23 US disclosed
US-20140343037-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. 2014-11-20 US disclosed
EP-1856057-B1 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX INC (US) 2014-10-15 EP disclosed
US-20130137686-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. 2013-05-30 US disclosed
US-8309548-B2 Benzene, pyridine, and pyridazine derivatives SERENEX, INC. (US) 2012-11-13 US disclosed
EP-2380879-A1 Tetrahydroindolone and tetrahydroindazolone derivatives Serenex, Inc. (US) 2011-10-26 EP disclosed
US-20110252835-A1 HEAT PUMP (SERVER) COUPLED WASHER AND DRYER PAIR WHIRLPOOL CORPORATION (US) 2011-10-20 US disclosed
US-20110183977-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2011-07-28 US disclosed
US-7928135-B2 Benzene, pyridine, and pyridazine derivatives SERENEX, INC. (US) 2011-04-19 US disclosed
US-7906529-B2 Benzene, pyridine, and pyridazine derivatives SERENEX, INC. (US) 2011-03-15 US disclosed
US-20110034529-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2011-02-10 US disclosed
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 disclosed
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 disclosed
US-7358370-B2 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 SERENEX, INC. (US) 2008-04-15 US disclosed
EP-1856057-A1 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES Serenex, Inc. (US) 2007-11-21 EP 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-20130137686-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 ALDH1A1 1049/4885MEN1 3035/4885KMT2A 3443/4885
US-20090163493-A9 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor HSP90AA1, HSP90AB1, HSPA4 ALDH1A1 2373/4885MEN1 2712/4885KMT2A 4225/4885
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 ALDH1A1 1049/4885MEN1 3035/4885KMT2A 3443/4885
US-20080096887-A1 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor HSP90AA1, HSP90AB1, HSPA4 ALDH1A1 2373/4885MEN1 2712/4885KMT2A 4225/4885
US-20140343037-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 ALDH1A1 1049/4885MEN1 3035/4885KMT2A 3443/4885
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 ALDH1A1 1756/4885MEN1 2082/4885KMT2A 2023/4885
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 ALDH1A1 1049/4885MEN1 3035/4885KMT2A 3443/4885
US-20110034529-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 ALDH1A1 1049/4885MEN1 3035/4885KMT2A 3443/4885
US-20110183977-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 ALDH1A1 1049/4885MEN1 3035/4885KMT2A 3443/4885

“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.