SCHEMBL1896044

SCHEMBL1896044

Nc1ccc(Oc2ccnc(C(=O)NCC3CC3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 5/20 0.48
BRAF P15056 2/20 0.48
KDR P35968 6/20 0.46
F2 P00734 2/20 0.46
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
ST14 Q9Y5Y6 2/20 0.46
PLG P00747 1/20 0.44
MMP13 P45452 1/20 0.44
KCNH2 Q12809 1/20 0.43
PIK3C3 Q8NEB9 1/20 0.42
AURKA O14965 1/20 0.42
LCK P06239 1/20 0.42
MET P08581 1/20 0.42
TEK Q02763 1/20 0.42
AURKB Q96GD4 1/20 0.42
EPHX2 P34913 2/20 0.41
HIF1A Q16665 1/20 0.41
USP30 Q70CQ3 1/20 0.41

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
SCHEMBL26922063 0.94 RAF1 (0.55) RAF1BRAFKDRF2PRSS1
SCHEMBL14609415 0.88 HIF1A (0.51) BRAFKDRHIF1AUSP30
SCHEMBL1897624 0.84 HTT (0.49) RAF1BRAFKDRMMP13KCNH2
SCHEMBL619963 0.83 RAF1 (0.57) RAF1BRAFKDRMETEPHX2
SCHEMBL20292453 0.83 BRAF (0.53) RAF1BRAFKDRMMP13MET
SCHEMBL13980804 0.82 PIK3C3 (0.48) KCNH2PIK3C3HIF1AUSP30
SCHEMBL1893727 0.82 RAF1 (0.55) RAF1BRAFKDRAURKALCK
SCHEMBL16507708 0.80 KDR (0.47) RAF1BRAFKDRAURKALCK
SCHEMBL26921502 0.80 KDR (0.69) RAF1BRAFKDRF2PRSS1
SCHEMBL26922244 0.79 KDR (0.71) RAF1BRAFKDRF2PRSS1

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 27 patents — showing the first 20. 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-20110195110-A1 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC 2011-08-11 US disclosed
US-20110195110-A1 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC 2011-08-11 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-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-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-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
WO-2007064872-A2 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC (US) 2007-06-07 WO 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
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-1506962-A2 Nitrogen-containing aromatic heterocycles Eisai Co. Ltd. (JP) 2005-02-16 EP disclosed
EP-1415987-A1 NITROGENOUS AROMATIC RING COMPOUNDS Eisai Co., Ltd. (JP) 2004-05-06 EP 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 (6 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 RAF1 864/4885BRAF 1424/4885KDR 2687/4885
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 RAF1 1525/4885BRAF 1531/4885KDR 22/4885
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 RAF1 2013/4885BRAF 2892/4885KDR 60/4885
US-20110118470-A1 NITROGEN-CONTAINING AROMATIC DERIVATIVES GNG2, GCG, FRG1 RAF1 966/4885BRAF 1456/4885KDR 2782/4885
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 RAF1 2013/4885BRAF 2892/4885KDR 60/4885
US-20110195110-A1 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER UMPS, SLC14A1, CPS1 RAF1 860/4885BRAF 338/4885KDR 4185/4885

“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.