SCHEMBL12410639

SCHEMBL12410639

Cc1[nH]c2ncnc(Oc3ccc([N+](=O)[O-])cc3)c2c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.55
KDR P35968 1/20 0.53
TRPA1 O75762 1/20 0.50
MAPT P10636 4/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TTBK1 Q5TCY1 1/20 0.44
TTBK2 Q6IQ55 1/20 0.44
HTT P42858 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PIK3C3 Q8NEB9 2/20 0.39
HSPB1 P04792 1/20 0.39
ABL1 P00519 1/20 0.39
PRKCA P17252 1/20 0.39
ABL2 P42684 1/20 0.39
TYMS P04818 1/20 0.38
GSK3B P49841 1/20 0.38
NPC1 O15118 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
SCHEMBL1890769 0.86 EGFR (0.66) EGFRKDRTRPA1MAPTLMNA
SCHEMBL1895100 0.81 EGFR (0.62) EGFRKDRTRPA1ABL1PRKCA
SCHEMBL12500775 0.80 EGFR (0.57) EGFRKDRTRPA1ABL1PRKCA
SCHEMBL1891187 0.79 TRPA1 (0.55) EGFRKDRTRPA1MAPTHTT
SCHEMBL2877656 0.73 TTBK1 (0.68) KDRTRPA1MAPTLMNAMEN1
SCHEMBL1896112 0.72 EGFR (0.75) EGFRKDRTRPA1ABL1PRKCA
SCHEMBL12503593 0.71 EGFR (0.69) EGFRKDRTRPA1ABL1PRKCA
SCHEMBL1897321 0.70 MAPT (0.48) KDRMAPTMEN1KMT2A
SCHEMBL1891363 0.69 TRPA1 (0.62) EGFRKDRTRPA1ABL1PRKCA
SCHEMBL1892148 0.69 EIF2AK2 (0.49) EGFRTRPA1MAPTLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372981-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-02-12 US disclosed
US-8372981-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-02-12 US disclosed
US-7973160-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-05 US disclosed
US-20110118470-A1 NITROGEN-CONTAINING AROMATIC DERIVATIVES FUNAHASHI YASUHIRO 2011-05-19 US disclosed
US-20100197911-A1 Nitrogen-Containing Aromatic Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-05 US disclosed
US-7612092-B2 Urea derivatives containing aromatic or heteroaromatic rings; 4-(3-chloro-4-(cyclopropylaminocarbonyl)aminophenoxy)-7-methoxy-6-quinolinecarboxamide; prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed
US-7253286-B2 Urea derivatives containing aromatic or heteroaromatic rings, useful as prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI CO., LTD (JP) 2007-08-07 US disclosed
US-7253286-B2 Urea derivatives containing aromatic or heteroaromatic rings, useful as prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI CO., LTD (JP) 2007-08-07 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 (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-20100197911-A1 Nitrogen-Containing Aromatic Derivatives GNG2, GCG, FRG1 EGFR 790/4885KDR 2687/4885TRPA1 1526/4885
US-20110118470-A1 NITROGEN-CONTAINING AROMATIC DERIVATIVES GNG2, GCG, FRG1 EGFR 795/4885KDR 2782/4885TRPA1 1421/4885

“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.