SCHEMBL3604286

SCHEMBL3604286

COC(=O)c1cccnc1Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.74
MEN1 O00255 4/20 0.74
MAPT P10636 4/20 0.74
NPC1 O15118 2/20 0.74
ALDH1A1 P00352 2/20 0.74
RAB9A P51151 2/20 0.74
KCNH2 Q12809 1/20 0.74
HTT P42858 2/20 0.54
PKM P14618 1/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
ABCG2 Q9UNQ0 5/20 0.51
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
PPIA P62937 1/20 0.49
ABL1 P00519 2/20 0.48
BCR P11274 2/20 0.48
PRKCA P17252 2/20 0.48
BAZ1A Q9NRL2 1/20 0.48
CDK4 P11802 1/20 0.47

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
SCHEMBL11790155 0.89 KMT2A (0.69) KMT2AMEN1MAPTNPC1ALDH1A1
SCHEMBL5250932 0.86 MEN1 (0.80) KMT2AMEN1MAPTNPC1ALDH1A1
SCHEMBL11788000 0.86 KMT2A (0.74) KMT2AMEN1MAPTNPC1ALDH1A1
SCHEMBL5250046 0.85 MEN1 (0.78) KMT2AMEN1MAPTNPC1ALDH1A1
SCHEMBL5249571 0.85 MAPT (1.00) KMT2AMEN1MAPTNPC1ALDH1A1
SCHEMBL22492830 0.82 MAPT (0.73) KMT2AMEN1MAPTNPC1ALDH1A1
SCHEMBL6643376 0.82 AKR1C3 (0.52) KMT2AMEN1MAPTNPC1ALDH1A1
SCHEMBL22492743 0.81 MEN1 (0.71) KMT2AMEN1MAPTNPC1ALDH1A1
SCHEMBL7440301 0.81 MEN1 (0.60) KMT2AMEN1MAPTNPC1ALDH1A1
SCHEMBL7272758 0.81 KMT2A (0.60) KMT2AMEN1MAPTNPC1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093782-A1 Pyrazolonaphthyridine derivatives KANAZAWA HASHIME 2010-04-15 US disclosed
US-7608716-B2 Pyrazolonaphthyridine derivative ASKA PHARMACEUTICAL CO., LTD. (JP) 2009-10-27 US disclosed
US-20060040972-A1 Pyrazolonaphthyridine derivative ASKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-23 US disclosed
CN-1717409-A Pyrazolonaphthyridine derivative GRELAN PHARMACEUTICAL CO (JP) 2006-01-04 CN disclosed
EP-1559716-A1 PYRAZOLONAPHTHYRIDINE DERIVATIVE Grelan Pharmaceutical Co., Ltd. (JP) 2005-08-03 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 (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-20060040972-A1 Pyrazolonaphthyridine derivative PDE3B, PDE3A, PDE4A KMT2A 3171/4885MEN1 4691/4885MAPT 4759/4885
US-20100093782-A1 Pyrazolonaphthyridine derivatives PDE3B, PDE3A, PDE4A KMT2A 3015/4885MEN1 4719/4885MAPT 4771/4885

“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.