SCHEMBL2313495

SCHEMBL2313495

CN(C)c1ccc(N)c(N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
TDP1 Q9NUW8 5/20 0.52
ALOX15 P16050 4/20 0.52
CYP3A4 P08684 4/20 0.52
TP53 P04637 2/20 0.52
MAPK1 P28482 2/20 0.52
TSHR P16473 5/20 0.50
HSD17B10 Q99714 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
THRB P10828 1/20 0.46
APAF1 O14727 1/20 0.46
TERT O14746 1/20 0.44
APP P05067 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
S100B P04271 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NR4A1 P22736 1/20 0.39
HDAC1 Q13547 1/20 0.37
ADRA2A P08913 1/20 0.37

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
SCHEMBL31361979 1.00 ALDH1A1 (0.52) ALDH1A1TDP1ALOX15CYP3A4TP53
Sulfuric Acid SCHEMBL7805762 0.87 KDM4E (0.50) ALDH1A1TDP1ALOX15CYP3A4TP53
SCHEMBL29442599 0.80 S100B (0.61) ALDH1A1TDP1ALOX15CYP3A4TP53
SCHEMBL11524424 0.80 ALDH1A1 (0.48) ALDH1A1TDP1ALOX15CYP3A4TP53
SCHEMBL33872 0.80 S100B (0.61) ALDH1A1TDP1ALOX15CYP3A4TP53
SCHEMBL2367265 0.80 APAF1 (0.56) ALDH1A1TDP1ALOX15CYP3A4TP53
SCHEMBL23885550 0.78 ALDH1A1 (0.46) ALDH1A1TDP1ALOX15CYP3A4TP53
SCHEMBL62465 0.78 ALOX15 (0.50) ALDH1A1TDP1ALOX15CYP3A4TP53
SCHEMBL31676683 0.78 ALDH1A1 (0.46) ALDH1A1TDP1ALOX15CYP3A4TP53
SCHEMBL1745275 0.78 ALDH1A1 (0.46) ALDH1A1TDP1ALOX15CYP3A4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104151250-B Diaryl amide compounds containing benzimidazole group, and synthesis and application thereof 大连理工大学 2016-08-31 CN claimed
US-RE46943-E1 Radioprotector compounds and methods PETER MACCALLUM CANCER INSTITUTE (AU) 2018-07-10 US disclosed
EP-2556058-B1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INST (AU) 2017-06-14 EP disclosed
CN-104151250-B Diaryl amide compounds containing benzimidazole group, and synthesis and application thereof 大连理工大学 2016-08-31 CN disclosed
US-8999993-B2 Radioprotector compounds and methods PETER MACCALLUM CANCER INSTITUTE (AU) 2015-04-07 US disclosed
US-20130109678-A1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INSTITUTE (AU) 2013-05-02 US disclosed
EP-2556058-A1 RADIOPROTECTOR COMPOUNDS AND METHODS Peter MacCallum Cancer Institute (AU) 2013-02-13 EP disclosed
WO-2011123890-A1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INSTITUTE (AU) 2011-10-13 WO disclosed
EP-1888579-B1 NOVEL FLUORENE DERIVATIVES, COMPOSITION CONTAINING SAID DERIVATIVES AND THE USE THEREOF AVENTIS PHARMA SA (FR) 2011-08-03 EP disclosed
US-7767687-B2 Pyrido pyrimidinones, dihydro pyrimido pyrimidinones and pteridinones useful as RAF kinase inhibitors BIOGEN IDEC MA INC. (US) 2010-08-03 US disclosed
US-6884890-B2 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2005-04-26 US disclosed
US-20040220248-A1 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE KANIA ROBERT STEVEN (US) 2004-11-04 US disclosed
US-20040171634-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, LLC 2004-09-02 US disclosed
US-6534524-B1 Antiproliferative agents, including axitinib AGOURON PHARMACEUTICALS, INC. 2003-03-18 US disclosed
US-6531491-B1 Methods of treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation, such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, and psoriasis, AGOURON PHARAMACEUTICALS, INC. 2003-03-11 US disclosed
EP-1218348-A2 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2002-07-03 EP disclosed
WO-2001002369-A2 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2001-01-11 WO disclosed
US-4465630-A Tetraazaannulene cobalt complex compounds and method for preparation therefor ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1984-08-14 US disclosed
EP-0073456-A1 Tetraazaannulene cobalt complex compounds and method for preparation thereof Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-03-09 EP disclosed
US-4138568-A NITRO-O-PHENYLENEDIAMINE, UREA, HALOBENZENE SOLVENT CIBA-GEIGY CORPORATION (US) 1979-02-06 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 (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-20040171634-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, ROCK1 ALDH1A1 2836/4885TDP1 1359/4885ALOX15 2150/4885
US-20040220248-A1 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE CDK3, BRAF, ROCK1 ALDH1A1 2836/4885TDP1 1359/4885ALOX15 2150/4885
US-20130109678-A1 RADIOPROTECTOR COMPOUNDS AND METHODS NR1H2, NR1H3, NR1I3 ALDH1A1 1707/4885TDP1 2052/4885ALOX15 2296/4885

“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.