SCHEMBL3055818

SCHEMBL3055818

O=[N+]([O-])c1ccc2c(c1)ncn2COCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.69
ALDH1A1 P00352 4/20 0.55
NR1I2 O75469 2/20 0.52
CNR2 P34972 2/20 0.49
CNR1 P21554 1/20 0.49
ACHE P22303 1/20 0.49
BRD4 O60885 1/20 0.48
KCNH2 Q12809 1/20 0.48
F2RL3 Q96RI0 1/20 0.47
KMT2A Q03164 3/20 0.47
HTT P42858 2/20 0.47
FGFR1 P11362 1/20 0.46
HPGD P15428 1/20 0.45
MAPT P10636 4/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL3046707 0.91 PKM (0.56) PKMALDH1A1NR1I2CNR2CNR1
SCHEMBL4748504 0.84 PKM (0.77) PKMALDH1A1NR1I2CNR2CNR1
SCHEMBL2841823 0.81 PKM (1.00) PKMALDH1A1NR1I2CNR2BRD4
SCHEMBL19911400 0.80 PKM (0.60) PKMALDH1A1NR1I2BRD4KCNH2
SCHEMBL2377813 0.79 CYP1A2 (0.47) PKMNR1I2BRD4KMT2AHTT
SCHEMBL3049751 0.79 MAPT (0.55) PKMALDH1A1NR1I2CNR2CNR1
SCHEMBL25235605 0.79 PKM (0.53) PKMALDH1A1NR1I2BRD4KCNH2
SCHEMBL30166768 0.79 PKM (0.53) PKMALDH1A1NR1I2BRD4KCNH2
SCHEMBL23579799 0.78 CYP1A2 (0.43) PKMALDH1A1NR1I2CNR2CNR1
SCHEMBL1623128 0.78 AGER (0.64) ALDH1A1HTTCYP11B1CYP11B2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC 2010-08-05 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 (1 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-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES CDK7, DPYD, DHFR PKM 2169/4885ALDH1A1 61/4885NR1I2 1047/4885

“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.