SCHEMBL3960657

SCHEMBL3960657

CNc1ncnc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.67
ALK Q9UM73 1/20 0.64
ALDH1A1 P00352 4/20 0.60
MAPT P10636 4/20 0.60
HTT P42858 4/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
GAA P10253 1/20 0.59
NCOA1 Q15788 1/20 0.59
NCOA3 Q9Y6Q9 1/20 0.59
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
EIF2AK2 P19525 1/20 0.56
BRAF P15056 1/20 0.56
TNNI3K Q59H18 1/20 0.56
POLB P06746 2/20 0.54
TNF P01375 1/20 0.54
CRHBP P24387 1/20 0.54
MAPK1 P28482 1/20 0.54
CRHR2 Q13324 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54

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
SCHEMBL7237075 0.81 EGFR (0.66) EGFRALKALDH1A1MAPTHTT
SCHEMBL7237065 0.81 EGFR (0.66) EGFRALKALDH1A1MAPTHTT
SCHEMBL3244626 0.81 ALK (0.77) EGFRALKALDH1A1MAPTHTT
SCHEMBL11846542 0.80 EGFR (0.61) EGFRALKALDH1A1MAPTHTT
SCHEMBL1192454 0.80 EGFR (1.00) EGFRALKALDH1A1MAPTHTT
SCHEMBL4587672 0.79 ALK (0.79) EGFRALKALDH1A1MAPTHTT
SCHEMBL25394059 0.79 EGFR (0.56) EGFRALKALDH1A1MAPTHTT
SCHEMBL30591253 0.79 EGFR (0.56) EGFRALKALDH1A1MAPTHTT
SCHEMBL25394057 0.79 EGFR (0.56) EGFRALKALDH1A1MAPTHTT
SCHEMBL9921365 0.79 EGFR (0.59) EGFRALKALDH1A1MAPTHTT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
US-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 US disclosed
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 US disclosed
US-7507748-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-03-24 US disclosed
US-7507748-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-03-24 US disclosed
EP-1773817-A1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2007-04-18 EP disclosed
US-20060040966-A1 e.g. 2-(7-isoquinolinylamino)-N-(3-methyl-4-(1-methylethyl)phenyl)-3-pyridinecarboxamide; Vascular Endothelial Growth Factor antagonist; angiogenesis inhibitor; anticarcinogenic, antiinflammatory inhibitor; retinopathies, rheumatoid arthritis, asthma, atherosclerosis, endometriosis, neoplastic diseases AMGEN INC. 2006-02-23 US disclosed
WO-2006012374-A1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-02-02 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 (2 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-20060040966-A1 e.g. 2-(7-isoquinolinylamino)-N-(3-methyl-4-(1-methylethyl)phenyl)-3-pyridinecarboxamide; Vascular Endothelial Growth Factor antagonist; angiogenesis inhibitor; anticarcinogenic, antiinflammatory inhibitor; retinopathies, rheumatoid arthritis, asthma, atherosclerosis, endometriosis, neoplastic diseases EDNRA, PTGIS, EDNRB EGFR 334/4885ALK 1347/4885ALDH1A1 223/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 EGFR 200/4885ALK 428/4885ALDH1A1 104/4885

“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.