SCHEMBL3503205

SCHEMBL3503205

Nc1ccc(Oc2ccnc(N)c2/C=C/C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
GAA P10253 1/20 0.40
EGFR P00533 1/20 0.38
BTK Q06187 1/20 0.38
MEN1 O00255 1/20 0.37
APAF1 O14727 1/20 0.37
KMT2A Q03164 1/20 0.37
AURKA O14965 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
PTGS2 P35354 1/20 0.36
PARP10 Q53GL7 1/20 0.36
SRD5A2 P31213 1/20 0.36
THRB P10828 1/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 2/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAOA P21397 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL3503209 1.00 HTT (0.41) HTTGAAEGFRBTKMEN1
SCHEMBL3504189 0.85 PDGFRA (0.41) HTTMEN1KMT2ASRD5A2ALDH1A1
SCHEMBL3504192 0.85 PDGFRA (0.41) HTTMEN1KMT2ASRD5A2ALDH1A1
SCHEMBL1893900 0.83 MAOB (0.39) HTTBTKTHRBALDH1A1CYP3A4
SCHEMBL1893902 0.83 MAOB (0.39) HTTBTKTHRBALDH1A1CYP3A4
SCHEMBL3504542 0.81 KDR (0.51)
SCHEMBL3504543 0.81 KDR (0.51)
SCHEMBL12500837 0.80 MEN1 (0.41) GAAMEN1APAF1KMT2AAURKA
SCHEMBL14217482 0.78 MEN1 (0.44) GAAEGFRBTKMEN1APAF1
SCHEMBL12663413 0.77 MEN1 (0.38) MEN1APAF1KMT2AAURKASMN1; SMN2

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-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
EP-1506962-B1 Nitrogen-containing aromatic heterocycles EISAI R&D MAN CO LTD (JP) 2008-07-02 EP disclosed
EP-1777218-A1 Process for the preparation of 4-phenoxy quinoline derivatives Eisai R&D Management Co., Ltd. (JP) 2007-04-25 EP disclosed
US-20060247259-A1 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) 2006-11-02 US disclosed
US-20060160832-A1 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) 2006-07-20 US disclosed
EP-1415987-A1 NITROGENOUS AROMATIC RING COMPOUNDS Eisai Co., Ltd. (JP) 2004-05-06 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-20100197911-A1 Nitrogen-Containing Aromatic Derivatives GNG2, GCG, FRG1 HTT 744/4885GAA 2394/4885EGFR 790/4885
US-20060247259-A1 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 UGGT1, FLT1, GCG HTT 1408/4885GAA 1258/4885EGFR 586/4885
US-20060160832-A1 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 UGGT1, FLT1, GCG HTT 1408/4885GAA 1258/4885EGFR 586/4885

“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.