SCHEMBL4252776

SCHEMBL4252776

O=c1[nH]cnc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.72
CYP3A4 P08684 2/20 0.51
NAMPT P43490 1/20 0.51
XDH P47989 1/20 0.51
IP6K1 Q92551 5/20 0.51
CHEK1 O14757 1/20 0.48
PIM1 P11309 1/20 0.48
AKT1 P31749 1/20 0.48
FLT3 P36888 1/20 0.48
PIM3 Q86V86 1/20 0.48
ALDH1A1 P00352 2/20 0.45
HSPB1 P04792 1/20 0.44
ACVR1 Q04771 1/20 0.44
SLC2A1 P11166 1/20 0.44
TTBK1 Q5TCY1 1/20 0.43
TTBK2 Q6IQ55 1/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL158065 0.84 PARP1 (1.00) PARP1CYP3A4NAMPTXDHIP6K1
SCHEMBL9541519 0.82 IP6K1 (0.68) PARP1IP6K1CHEK1PIM1AKT1
SCHEMBL4252782 0.81 PARP1 (0.69) PARP1IP6K1CHEK1PIM1AKT1
SCHEMBL27174587 0.78 PARP1 (0.50) PARP1IP6K1CHEK1PIM1AKT1
SCHEMBL29539395 0.78 PARP1 (0.50) PARP1IP6K1CHEK1PIM1AKT1
SCHEMBL1438865 0.76 PARP1 (0.77) PARP1CYP3A4NAMPTXDHIP6K1
SCHEMBL31000787 0.76 PARP1 (0.77) PARP1CYP3A4NAMPTXDHIP6K1
SCHEMBL9800651 0.75 HTT (0.49) CYP3A4ALDH1A1HSPB1MEN1MAPT
SCHEMBL3881328 0.74 L3MBTL1 (0.74) IP6K1ALDH1A1HSPB1MAPTL3MBTL1
SCHEMBL1257333 0.74 PARP1 (0.63) PARP1IP6K1CHEK1PIM1AKT1

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-20090149484-A1 QUINAZOLIN-4-ONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2009-06-11 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-20090149484-A1 QUINAZOLIN-4-ONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BRAF, RAF1, NRAS PARP1 1026/4885CYP3A4 373/4885NAMPT 1315/4885

“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.