SCHEMBL1893644

SCHEMBL1893644

Nc1cc(Oc2ccc3[nH]ccc3c2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.46
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
RAD51 Q06609 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LTA4H P09960 2/20 0.42
JAK2 O60674 1/20 0.41
BTK Q06187 1/20 0.40
SYK P43405 1/20 0.40
MAOA P21397 1/20 0.39
PRKCQ Q04759 1/20 0.39
AHR P35869 3/20 0.39
NR4A2 P43354 2/20 0.39
CYP2A6 P11509 1/20 0.39
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39

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
SCHEMBL5113767 0.88 MEN1 (0.50) KDRNOS3NOS1NOS2LTA4H
SCHEMBL14465628 0.82 AHR (0.46) KDRUSP2GAAALOX15RAD51
SCHEMBL2502849 0.82 KDR (0.44) KDRUSP2GAAALOX15RAD51
SCHEMBL18715927 0.80 NOS3 (0.41) KDRNOS3NOS1NOS2USP2
SCHEMBL2777360 0.79 KDR (0.45) KDRUSP2GAAALOX15RAD51
SCHEMBL2778800 0.79 KDR (0.50) KDRLTA4HJAK2MAOAPRKCQ
SCHEMBL15984770 0.79 CYP19A1 (0.40) KDRNOS3NOS1NOS2NPSR1
SCHEMBL2505970 0.78 LTA4H (0.42) KDRUSP2GAAALOX15RAD51
SCHEMBL15952064 0.78 NOS3 (0.49) KDRNOS3NOS1NOS2SYK
SCHEMBL4292184 0.78 KCNH2 (0.44) KDRJAK2SYKSCN9A

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 35 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-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-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-20060241038-A1 Therapeutic agent for Abeta related disorders EISAI CO., LTD. (JP) 2006-10-26 US disclosed
WO-2006112550-A2 A THERAPEUTIC AGENT FOR Aβ RELATED DISORDERS EISAI R & D MANAGEMENT CO., LTD. (JP) 2006-10-26 WO disclosed
US-7109219-B2 Nitrogen-containing aromatic derivatives EISAI CO., LTD. (JP) 2006-09-19 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
US-20060004029-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-01-05 US disclosed
US-20050187236-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-08-25 US disclosed
EP-1522540-A1 AZAARENE DERIVATIVES Eisai Co., Ltd. (JP) 2005-04-13 EP 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 (7 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 2687/4885NOS3 1468/4885NOS1 758/4885
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 22/4885NOS3 344/4885NOS1 236/4885
US-20060004029-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 KDR 1940/4885NOS3 540/4885NOS1 529/4885
US-20110118470-A1 NITROGEN-CONTAINING AROMATIC DERIVATIVES GNG2, GCG, FRG1 KDR 2782/4885NOS3 1490/4885NOS1 727/4885
US-20060241038-A1 Therapeutic agent for Abeta related disorders APP, BACE1, PSEN1 KDR 4506/4885NOS3 1721/4885NOS1 1438/4885
US-20050187236-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 KDR 1940/4885NOS3 540/4885NOS1 529/4885
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 KDR 60/4885NOS3 486/4885NOS1 269/4885

“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.