SCHEMBL4459958

SCHEMBL4459958

O=C(O)c1ncc(-c2cccc(F)c2)cn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.60
DCLRE1B Q9H816 1/20 0.49
HPGDS O60760 1/20 0.49
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
EGLN1 Q9GZT9 1/20 0.48
PIN1 Q13526 1/20 0.48
ESR2 Q92731 1/20 0.47
CHEK2 O96017 2/20 0.47
MAP4K4 O95819 1/20 0.47
PLK4 O00444 1/20 0.46
AURKA O14965 1/20 0.46
DAPK3 O43293 1/20 0.46
CDK1 P06493 1/20 0.46
PIM1 P11309 1/20 0.46
CDK2 P24941 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
MAPK9 P45984 1/20 0.46

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
SCHEMBL25184597 0.81 KMO (0.59) KMODCLRE1BEGLN1PIN1MAP4K4
SCHEMBL2225522 0.81 SMN1; SMN2 (0.54) KMOPIN1MAP4K4KDM4ESMN1; SMN2
SCHEMBL4465941 0.79 BCL2L1 (0.55) KMOEGLN1MAP4K4KDRDHODH
SCHEMBL486067 0.79 KMO (0.59) KMODCLRE1BHPGDSNR4A1NR4A2
SCHEMBL25551841 0.79 KMO (0.57) KMOHPGDSNR4A1NR4A2NR4A3
SCHEMBL25251870 0.79 KMO (0.57) KMOHPGDSNR4A1NR4A2NR4A3
SCHEMBL32680045 0.79 KMO (0.57) KMOHPGDSNR4A1NR4A2NR4A3
SCHEMBL1366015 0.77 HPGDS (0.55) KMOHPGDSNR4A1NR4A2NR4A3
SCHEMBL3223370 0.77 KMO (0.65) KMODCLRE1BNR4A1NR4A2NR4A3
SCHEMBL11477525 0.77 ESR2 (0.59) KMOHPGDSEGLN1ESR2CHEK2

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-7579353-B2 Pyridinone derivatives against malaria GLAXO GROUP LIMITED (GB) 2009-08-25 US claimed
US-20080287461-A1 Pyridinone Derivatives Against Malaria GLAXO GROUP LIMITED (GB) 2008-11-20 US claimed
US-7579353-B2 Pyridinone derivatives against malaria GLAXO GROUP LIMITED (GB) 2009-08-25 US disclosed
US-7504412-B2 Imidazopyridine derivatives BANYU PHARMACEUTICALS, CO., LTD. (JP) 2009-03-17 US disclosed
US-7485647-B2 2-aminoquinoline derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-02-03 US disclosed
CN-100448870-C 2-aminoquinoline derivative BANYU PHARMA CO LTD (JP) 2009-01-07 CN disclosed
US-20080287461-A1 Pyridinone Derivatives Against Malaria GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
CN-100418965-C Imidazopyridine derivatives BANYU PHARMA CO LTD (JP) 2008-09-17 CN disclosed
US-20080200494-A1 Imidazopyridine Derivatives MSD K.K. (JP) 2008-08-21 US disclosed
EP-1858876-A2 PYRIDINONE DERIVATIVES AGAINST MALARIA GLAXO GROUP LIMITED (GB) 2007-11-28 EP disclosed
US-20060287340-A1 2-Aminoquinoline derivatives MSD K.K. (JP) 2006-12-21 US disclosed
CN-1835950-A Imidazopyridine derivatives BANYU PHARMA CO LTD (JP) 2006-09-20 CN disclosed
WO-2006094799-A2 PYRIDINONE DERIVATIVES AGAINST MALARIA GLAXO GROUP LIMITED (GB) 2006-09-14 WO disclosed
CN-1791594-A 2-aminoquinoline derivatives BANYU PHARMA CO LTD (JP) 2006-06-21 CN disclosed
EP-1657242-A1 IMIDAZOPYRIDINE DERIVATIVES Banyu Pharmaceutical Co., Ltd. (JP) 2006-05-17 EP disclosed
EP-1630162-A1 2-AMINOQUINOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-03-01 EP 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 (3 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-20080200494-A1 Imidazopyridine Derivatives MC1R, MC3R, MC5R KMO 634/4885DCLRE1B 4841/4885HPGDS 2169/4885
US-20060287340-A1 2-Aminoquinoline derivatives MCHR2, MC2R, MCHR1 KMO 285/4885DCLRE1B 4644/4885HPGDS 2368/4885
US-20080287461-A1 Pyridinone Derivatives Against Malaria G6PD, PNPO, PLPBP KMO 325/4885DCLRE1B 2451/4885HPGDS 544/4885

“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.