SCHEMBL4103303

SCHEMBL4103303

O=Cc1[nH]cnc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
CYP3A4 P08684 2/20 0.55
MAPT P10636 1/20 0.55
FLT1 P17948 1/20 0.50
KDR P35968 1/20 0.50
TEK Q02763 1/20 0.50
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ADORA3 P0DMS8 3/20 0.41
ADORA2A P29274 3/20 0.41
ADORA1 P30542 3/20 0.41
IDO1 P14902 4/20 0.40
ALOX15 P16050 1/20 0.39
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PTGS2 P35354 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
SCHEMBL8913214 0.78 FLT1 (0.51) KDM4ECYP3A4MAPTFLT1KDR
SCHEMBL8913217 0.78 FLT1 (0.51) KDM4ECYP3A4MAPTFLT1KDR
SCHEMBL6290983 0.77 FLT1 (0.61) KDM4ECYP3A4MAPTFLT1KDR
Hydrochloric Acid SCHEMBL8914887 0.76 FLT1 (0.50) KDM4ECYP3A4MAPTFLT1KDR
Hydrochloric Acid SCHEMBL8913294 0.76 FLT1 (0.50) KDM4ECYP3A4MAPTFLT1KDR
Hydrochloric Acid SCHEMBL8913289 0.76 FLT1 (0.50) KDM4ECYP3A4MAPTFLT1KDR
SCHEMBL6295052 0.74 FLT1 (0.66) KDM4ECYP3A4MAPTFLT1KDR
SCHEMBL4774600 0.73 FLT1 (0.57) KDM4ECYP3A4MAPTFLT1KDR
SCHEMBL4774594 0.73 FLT1 (0.57) KDM4ECYP3A4MAPTFLT1KDR
SCHEMBL224770 0.71 KDM4E (1.00) KDM4ECYP3A4MAPTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100427472-C Aryl-heteroaromatic compounds, compositions containing them and their use AVENTIS PHARMA SA (FR) 2008-10-22 CN claimed
CN-1829697-A Aryl-heteroaromatic products, compositions containing same and use thereof AVENTIS PHARMA SA (FR) 2006-09-06 CN claimed
US-20140342174-A1 MIRROR FILM, METHOD FOR PRODUCING THE SAME, AND MIRROR FILM FOR SOLAR THERMAL POWER GENERATORS OR SOLAR PHOTOVOLTAIC POWER GENERATORS FUJIFILM CORPORATION (JP) 2014-11-20 US disclosed
US-20090093464-A1 Naphthalene Derivatives as Modulators of the Glucocorticoid Receptor SMITHKLINE BEECHMA CORPORATION (US) 2009-04-09 US disclosed
CN-100427472-C Aryl-heteroaromatic compounds, compositions containing them and their use AVENTIS PHARMA SA (FR) 2008-10-22 CN disclosed
CN-101223143-A 3-cyanoquinoline inhibitors of TPL2 kinase and methods of making and using the same WYETH CORP (US) 2008-07-16 CN disclosed
EP-1575963-B1 ANTI-ANGIOGENETIC THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2008-05-07 EP disclosed
EP-1888529-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME Wyeth (US) 2008-02-20 EP disclosed
EP-1851204-A1 NAPHTHALENE DERIVATIVES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR SmithKline Beecham Corporation (US) 2007-11-07 EP disclosed
US-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2006-11-23 US disclosed
WO-2006124692-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME WYETH (US) 2006-11-23 WO disclosed
WO-2006091592-A1 NAPHTHALENE DERIVATIVES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2006-08-31 WO disclosed
US-20060069109-A1 Therapeutic agents ASTRAZENECA AB (SE) 2006-03-30 US disclosed
CN-1751052-A Therapeutic agents ASTRAZENECA AB (SE) 2006-03-22 CN disclosed
EP-1575963-A1 THERAPEUTIC AGENTS AstraZeneca AB (SE) 2005-09-21 EP disclosed
WO-2004058776-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2004-07-15 WO disclosed
US-5606073-A INTERMEDIATES FOR ADENOSINE ANTAGONISTS EISAI CO., LTD. (JP) 1997-02-25 US disclosed
US-5541213-A ADENOSINE A1 RECEPTOR ANTAGONISTS, TREATMENT OF KIDNEY DISORDERS EISAI CO., LTD. (JP) 1996-07-30 US disclosed
CN-1111622-A Propenoic acid derivaties EISAI CO LTD (JP) 1995-11-15 CN disclosed
EP-0630894-A1 Propenoic acid derivatives as adenosine A1 antagonists Eisai Co., Ltd. (JP) 1994-12-28 EP 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 (3 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-20060069109-A1 Therapeutic agents TIE1, TEK, KDR KDM4E 2006/4885CYP3A4 4395/4885MAPT 1862/4885
US-20090093464-A1 Naphthalene Derivatives as Modulators of the Glucocorticoid Receptor NR3C1, NR3C2, NR5A1 KDM4E 4398/4885CYP3A4 261/4885MAPT 4566/4885
US-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same TNNI3K, CSNK1A1L, CDKL1 KDM4E 1032/4885CYP3A4 2706/4885MAPT 4563/4885

“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.