SCHEMBL5570040

SCHEMBL5570040

Cc1ccc([N+](=O)[O-])cc1Nc1ncnc2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.74
KMT2A Q03164 3/20 0.74
POLB P06746 2/20 0.74
NPC1 O15118 1/20 0.74
DUSP3 P51452 1/20 0.74
PTPN5 P54829 1/20 0.74
PTPN11 Q06124 1/20 0.74
ABCG2 Q9UNQ0 2/20 0.65
EGFR P00533 8/20 0.59
GAA P10253 1/20 0.56
NCOA1 Q15788 1/20 0.56
NCOA3 Q9Y6Q9 1/20 0.56
ALDH1A1 P00352 4/20 0.55
MAPT P10636 3/20 0.55
HTT P42858 3/20 0.55
TNF P01375 1/20 0.55
CRHBP P24387 1/20 0.55
MAPK1 P28482 1/20 0.55
CRHR2 Q13324 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.55

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
SCHEMBL4970784 0.83 ALDH1A1 (0.64) MEN1KMT2APOLBNPC1DUSP3
SCHEMBL4967530 0.82 EGFR (0.56) MEN1KMT2APOLBNPC1DUSP3
SCHEMBL27748217 0.81 ABCG2 (0.72) ABCG2EGFRALDH1A1MAPTHTT
Hydrochloric Acid SCHEMBL6786294 0.81 ABCG2 (0.71) ABCG2EGFRGAANCOA1NCOA3
SCHEMBL9017038 0.80 EGFR (0.63) MEN1KMT2APOLBNPC1ABCG2
SCHEMBL24429875 0.80 WDR5 (0.67) MEN1KMT2APOLBNPC1DUSP3
SCHEMBL29891034 0.80 WDR5 (0.67) MEN1KMT2APOLBNPC1DUSP3
SCHEMBL29116258 0.79 ABCG2 (0.74) MEN1KMT2APOLBNPC1DUSP3
SCHEMBL10106211 0.79 ALDH1A1 (0.53) MEN1KMT2APOLBNPC1DUSP3
SCHEMBL4354577 0.79 ABCG2 (1.00) MEN1KMT2APOLBNPC1DUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070123537-A1 Quinazoline derivatives for the treatment of herpesviral infections GPC BIOTECH AG (DE) 2007-05-31 US claimed
US-20070123537-A1 Quinazoline derivatives for the treatment of herpesviral infections GPC BIOTECH AG (DE) 2007-05-31 US disclosed
EP-1673346-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF HERPESVIRAL INFECTIONS GPC Biotech AG (DE) 2006-06-28 EP disclosed
WO-2005040125-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF HERPESVIRAL INFECTIONS GPC BIOTECH AG (DE) 2005-05-06 WO 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-20070123537-A1 Quinazoline derivatives for the treatment of herpesviral infections IRF3, PML, TPMT MEN1 1784/4885KMT2A 1230/4885POLB 1043/4885

“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.