SCHEMBL12503593

SCHEMBL12503593

Cc1[nH]c2ncnc(Oc3cccc(N=O)c3)c2c1C

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.69
KDR P35968 1/20 0.54
TRPA1 O75762 1/20 0.54
ABL1 P00519 5/20 0.42
ABL2 P42684 5/20 0.42
MRGPRX1 Q96LB2 2/20 0.41
PRKCA P17252 1/20 0.40
LIMK1 P53667 1/20 0.38
LIMK2 P53671 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
SCHEMBL12500775 0.85 EGFR (0.57) EGFRKDRTRPA1ABL1ABL2
SCHEMBL1896112 0.83 EGFR (0.75) EGFRKDRTRPA1ABL1ABL2
SCHEMBL1890769 0.79 EGFR (0.66) EGFRKDRTRPA1ABL1ABL2
SCHEMBL1899168 0.76 KDR (0.77) EGFRKDRTRPA1LIMK1
SCHEMBL1895100 0.74 EGFR (0.62) EGFRKDRTRPA1ABL1ABL2
SCHEMBL1891363 0.73 TRPA1 (0.62) EGFRKDRTRPA1ABL1ABL2
SCHEMBL12410639 0.71 EGFR (0.55) EGFRKDRTRPA1ABL1ABL2
SCHEMBL2462868 0.66 EGFR (1.00) EGFRKDRABL1ABL2PRKCA
SCHEMBL10139164 0.65 MEN1 (0.54)
SCHEMBL13639098 0.64 NOS3 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.