SCHEMBL12410899

SCHEMBL12410899

O=[N+]([O-])c1ccc(Oc2ncnc3[nH]c(-c4ccccn4)cc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GPR35 Q9HC97 1/20 0.48
RAB9A P51151 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 3/20 0.42
METAP1 P53582 2/20 0.42
KDM4E B2RXH2 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
TTBK1 Q5TCY1 1/20 0.41
TTBK2 Q6IQ55 1/20 0.41
GSK3B P49841 2/20 0.40
EIF2AK2 P19525 1/20 0.40
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 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
SCHEMBL1892148 0.86 EIF2AK2 (0.49) MEN1KMT2AL3MBTL1MAPTRXFP1
SCHEMBL1893074 0.85 TRPA1 (0.40) MEN1KMT2AGPR35RAB9AMAPT
SCHEMBL1893258 0.84 GSK3B (0.49) MEN1KMT2ARAB9AL3MBTL1MAPT
SCHEMBL1892851 0.80 GSK3B (0.45) RAB9ANPC1KDM4EGSK3BEIF2AK2
SCHEMBL1894669 0.79 PRMT5 (0.61) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL1891027 0.77 FLT3 (0.58) CSF1R
SCHEMBL1896456 0.74 FLT3 (0.64) RAB9ANPC1LMNACSF1R
SCHEMBL1894376 0.73 FLT3 (0.49) MEN1KMT2AMAPTGSK3BLMNA
SCHEMBL2877656 0.72 TTBK1 (0.68) MEN1KMT2AMAPTRXFP1TTBK1
SCHEMBL4727429 0.71 KMT2A (0.56) MEN1KMT2ARAB9AL3MBTL1MAPT

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 16 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-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-20110118470-A1 NITROGEN-CONTAINING AROMATIC DERIVATIVES FUNAHASHI YASUHIRO 2011-05-19 US disclosed
CN-101029022-B Process for producing nitrogen-containing aromatic ring derivative EISAI R&D MAN CO LTD 2011-01-12 CN 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
CN-101029022-A Process for producing nitrogen-containing aromatic ring derivative EISAI R&D MAN CO LTD (JP) 2007-09-05 CN disclosed
CN-101024627-A Nitrogen-containing aromatic ring derivatives EISAI R&D MAN CO LTD (JP) 2007-08-29 CN 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
CN-1308310-C Nitrogen-containing aromatic ring derivatives EISAI CO LTD (JP) 2007-04-04 CN 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 MEN1 2354/4885KMT2A 1207/4885GPR35 946/4885
US-20110118470-A1 NITROGEN-CONTAINING AROMATIC DERIVATIVES GNG2, GCG, FRG1 MEN1 2172/4885KMT2A 1316/4885GPR35 961/4885

“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.