SCHEMBL12403886

SCHEMBL12403886

CC(C)(C)Nc1cccc2nsnc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.49
▸ KDM4E B2RXH2 9/20 0.49
▸ MEN1 O00255 7/20 0.49
▸ KMT2A Q03164 7/20 0.49
▸ PKM P14618 1/20 0.49
▸ ALDH1A1 P00352 11/20 0.49
▸ HSD17B10 Q99714 5/20 0.48
▸ HPGD P15428 5/20 0.48
▸ PTK2B Q14289 1/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ L3MBTL1 Q9Y468 3/20 0.48
▸ HIF1A Q16665 1/20 0.47
▸ TSHR P16473 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ HTT P42858 2/20 0.46
▸ POLB P06746 3/20 0.45

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
SCHEMBL13866406 0.83 ALDH1A1 (0.53) MAPTKDM4EMEN1KMT2APKM
SCHEMBL12411184 0.75 ALDH1A1 (0.49) MAPTKDM4EMEN1KMT2APKM
SCHEMBL12471994 0.75 MEN1 (0.49) MAPTKDM4EMEN1KMT2APKM
SCHEMBL15881215 0.72 ALDH1A1 (0.64) MAPTKDM4EMEN1KMT2APKM
SCHEMBL18893411 0.72 MAPT (0.47) MAPTKDM4EMEN1KMT2APKM
SCHEMBL18462015 0.72 ALDH1A1 (0.46) MAPTKDM4EMEN1KMT2APKM
SCHEMBL15880356 0.72 KDM4E (0.57) MAPTKDM4EMEN1KMT2APKM
SCHEMBL3439599 0.72 MAPT (0.57) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL15305883 0.71 MEN1 (0.46) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL21895251 0.69 KDM4E (0.48) MAPTKDM4EMEN1KMT2AALDH1A1

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 15 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
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2017-09-14 — — US 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-20140343037-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. 2014-11-20 — — US 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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 MAPT 4163/4885KDM4E 768/4885MEN1 3035/4885
US-20090163493-A9 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor HSP90AA1, HSP90AB1, HSPA4 MAPT 1399/4885KDM4E 3745/4885MEN1 2712/4885
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 MAPT 4163/4885KDM4E 768/4885MEN1 3035/4885
US-20080096887-A1 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor HSP90AA1, HSP90AB1, HSPA4 MAPT 1399/4885KDM4E 3745/4885MEN1 2712/4885
US-20140343037-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 MAPT 4163/4885KDM4E 768/4885MEN1 3035/4885
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 MAPT 4163/4885KDM4E 768/4885MEN1 3035/4885
US-20110034529-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 MAPT 4163/4885KDM4E 768/4885MEN1 3035/4885
US-20110183977-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 MAPT 4163/4885KDM4E 768/4885MEN1 3035/4885

“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.

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