SCHEMBL12411679

SCHEMBL12411679

CCN(CC)CCOc1ccc(-c2cc3c(Cc4ccc(NC(=O)NC5CC5)c(Cl)c4)ncnc3[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.46
CHEK1 O14757 3/20 0.43
KDR P35968 11/20 0.42
AURKB Q96GD4 3/20 0.41
AURKA O14965 3/20 0.41
CDK2AP1 O14519 1/20 0.40
EGFR P00533 3/20 0.38
ABL1 P00519 2/20 0.38
PDGFRB P09619 2/20 0.38
KIT P10721 2/20 0.38
FGFR1 P11362 2/20 0.38
SRC P12931 1/20 0.38
BRAF P15056 1/20 0.38
EPHB4 P54760 1/20 0.38
TEK Q02763 1/20 0.38
FLT1 P17948 3/20 0.38
FLT4 P35916 3/20 0.38
RIPK2 O43353 1/20 0.37
ERN1 O75460 1/20 0.37
STK10 O94804 1/20 0.37

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
SCHEMBL1890092 0.87 KDR (0.51) HRH3CHEK1KDRAURKBAURKA
SCHEMBL12411683 0.83 KDR (0.50) HRH3CHEK1KDRAURKBAURKA
SCHEMBL1898587 0.80 HRH3 (0.47) HRH3CHEK1KDRAURKBAURKA
SCHEMBL1893911 0.76 KDR (0.48) KDRAURKBABL1PDGFRBKIT
SCHEMBL1893909 0.76 KDR (0.48) KDRAURKBABL1PDGFRBKIT
SCHEMBL13227542 0.75 HRH3 (0.47) HRH3CHEK1KDRAURKBABL1
SCHEMBL1894377 0.75 KDR (0.49) KDRAURKBABL1PDGFRBKIT
SCHEMBL1893095 0.73 PRMT5 (0.51) KDRFLT1FLT4FGFR4
SCHEMBL1892317 0.72 KDR (0.61) KDRFLT1FLT4FGFR4
SCHEMBL1898781 0.72 KDR (0.55) KDRAURKBABL1PDGFRBKIT

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 10 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-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-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 HRH3 143/4885CHEK1 2637/4885KDR 2687/4885
US-20110118470-A1 NITROGEN-CONTAINING AROMATIC DERIVATIVES GNG2, GCG, FRG1 HRH3 157/4885CHEK1 2899/4885KDR 2782/4885

“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.