SCHEMBL1897753

SCHEMBL1897753

CCOC(=O)/C=C/c1c(Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)ccnc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.48
PDGFRA P16234 7/20 0.48
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CASP3 P42574 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
RET P07949 1/20 0.43
MET P08581 3/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL1897758 1.00 KDR (0.48) KDRPDGFRAMAPTMEN1KMT2A
SCHEMBL14423590 0.91 MAPT (0.39) KDRPDGFRAMAPTMEN1KMT2A
SCHEMBL3504542 0.86 KDR (0.51) KDRPDGFRARETMETBRAF
SCHEMBL3504543 0.86 KDR (0.51) KDRPDGFRARETMETBRAF
SCHEMBL12500115 0.85 KDR (0.54) KDRPDGFRARETMETNPC1
SCHEMBL12673776 0.84 KDR (0.48) KDRPDGFRAMEN1KMT2ARET
SCHEMBL1893902 0.84 MAOB (0.39) MAPTMETALDH1A1LMNATHRB
SCHEMBL1893900 0.84 MAOB (0.39) MAPTMETALDH1A1LMNATHRB
SCHEMBL1892232 0.83 KDR (0.44) KDRPDGFRARETMETBRAF
SCHEMBL1892226 0.83 KDR (0.44) KDRPDGFRARETMETBRAF

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-7973160-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-05 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-20040053908-A1 Urea derivatives containing aromatic or heteroaromatic rings, useful as prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-03-18 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-20100197911-A1 Nitrogen-Containing Aromatic Derivatives GNG2, GCG, FRG1 KDR 2687/4885PDGFRA 3131/4885MAPT 3664/4885
US-20040053908-A1 Urea derivatives containing aromatic or heteroaromatic rings, useful as prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective VEGFA, UACA, UTS2R KDR 22/4885PDGFRA 1572/4885MAPT 2964/4885
US-20110118470-A1 NITROGEN-CONTAINING AROMATIC DERIVATIVES GNG2, GCG, FRG1 KDR 2782/4885PDGFRA 3135/4885MAPT 3399/4885

“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.