SCHEMBL1897083

SCHEMBL1897083

Nc1cc(Oc2ccc(N)c(Cl)c2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.50
NOS1 P29475 2/20 0.50
NOS2 P35228 2/20 0.50
SCN9A Q15858 7/20 0.48
NR4A1 P22736 1/20 0.44
MAPK14 Q16539 1/20 0.42
SCN5A Q14524 3/20 0.40
DYRK1A Q13627 2/20 0.40
KCNH2 Q12809 2/20 0.40
HSP90AA1 P07900 1/20 0.40
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
MPO P05164 1/20 0.38
TPO P07202 1/20 0.38
EPX P11678 1/20 0.38
LPO P22079 1/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL16655993 0.86 NR4A1 (0.44) NOS3NOS1NOS2SCN9ANR4A1
SCHEMBL1895807 0.84 NOS3 (0.52) NOS3NOS1NOS2SCN9AMAPK14
SCHEMBL273483 0.83 NR4A1 (0.61) NR4A1HSP90AA1CYP3A4TSHRALDH1A1
SCHEMBL20554401 0.82 SCN9A (0.67) NOS3NOS1NOS2SCN9ASCN5A
SCHEMBL30132524 0.82 SCN9A (0.67) NOS3NOS1NOS2SCN9ASCN5A
SCHEMBL1137172 0.79 NOS3 (0.50) NOS3NOS1NOS2SCN9ANR4A1
SCHEMBL4328013 0.79 NOS3 (0.55) NOS3NOS1NOS2SCN9ANR4A1
SCHEMBL1137124 0.79 RAF1 (0.53) SCN9AKCNH2P2RX3
SCHEMBL2473816 0.79 KMO (0.50) ALDH1A1KDM4EP2RX3
SCHEMBL1890586 0.78 NOS3 (0.57) NOS3NOS1NOS2SCN9ASCN5A

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1889836-B1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (3) EISAI R&D MAN CO LTD (JP) 2013-06-12 EP disclosed
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-8372981-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-02-12 US disclosed
US-8288538-B2 Pyridine derivatives and pyrimidine derivatives (3) EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-10-16 US disclosed
EP-1719762-B1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) EISAI R&D MAN CO LTD (JP) 2012-06-27 EP 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
CN-1906167-A Novel pyridine derivative and pyrimidine derivative (2) EISAI CO LTD (JP) 2007-01-31 CN disclosed
CN-1906166-A Novel pyridine derivative and pyrimidine derivative (1) EISAI CO LTD (JP) 2007-01-31 CN disclosed
EP-1719763-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (2) Eisai Co., Ltd. (JP) 2006-11-08 EP disclosed
EP-1719762-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) Eisai Co., Ltd. (JP) 2006-11-08 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
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative EISAI CO., LTD. (JP) 2005-12-15 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 (5 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-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 NOS3 344/4885NOS1 236/4885NOS2 200/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF NOS3 1466/4885NOS1 1613/4885NOS2 2215/4885
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 NOS3 486/4885NOS1 269/4885NOS2 261/4885
US-20110118470-A1 NITROGEN-CONTAINING AROMATIC DERIVATIVES GNG2, GCG, FRG1 NOS3 1490/4885NOS1 727/4885NOS2 633/4885
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 NOS3 486/4885NOS1 269/4885NOS2 261/4885

“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.