SCHEMBL12410465

SCHEMBL12410465

Nc1ccc(Oc2ccnc3ccccc23)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.48
TPO P07202 1/20 0.48
EPX P11678 1/20 0.48
LPO P22079 1/20 0.48
NCF1 P14598 1/20 0.46
KDR P35968 3/20 0.41
BRAF P15056 2/20 0.41
MAPK14 Q16539 1/20 0.41
TNNI3K Q59H18 1/20 0.41
ERBB2 P04626 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
CCNC P24863 2/20 0.39
CDK8 P49336 2/20 0.39
MET P08581 3/20 0.39
FGFR2 P21802 1/20 0.39
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
AURKA O14965 1/20 0.38
TTK P33981 1/20 0.38
AURKB Q96GD4 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
SCHEMBL1546587 0.83 KDM1A (0.54) NCF1KDRBRAFMAPK14TNNI3K
SCHEMBL29812245 0.83 KDM1A (0.54) NCF1KDRBRAFMAPK14TNNI3K
SCHEMBL13467427 0.80 MPO (0.47) MPOTPOEPXLPOKDR
SCHEMBL198210 0.80 KDR (0.54) MPOTPOEPXLPOKDR
SCHEMBL22188236 0.80 DDR2 (0.54) MPOTPOEPXLPOKDR
SCHEMBL2151094 0.80 GRM4 (0.48) MPOTPOEPXLPOKDR
SCHEMBL4364903 0.79 NCF1 (0.50) NCF1KDRBRAFMAPK14TNNI3K
SCHEMBL1897179 0.79 ERBB2 (0.55) NCF1KDRBRAFMAPK14TNNI3K
SCHEMBL12663452 0.78 PDGFRA (0.48) MPOTPOEPXLPOKDR
SCHEMBL22188225 0.78 MPO (0.45) MPOTPOEPXLPOKDR

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 6 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-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

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 MPO 1757/4885TPO 2703/4885EPX 3532/4885
US-20110118470-A1 NITROGEN-CONTAINING AROMATIC DERIVATIVES GNG2, GCG, FRG1 MPO 1631/4885TPO 2682/4885EPX 3330/4885

“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.