SCHEMBL5570077

SCHEMBL5570077

N#Cc1cc([N+](=O)[O-])ccc1Oc1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.64
ALDH1A1 P00352 4/20 0.64
LMNA P02545 4/20 0.61
HTT P42858 3/20 0.61
CYP19A1 P11511 5/20 0.59
MAPT P10636 4/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
VCAM1 P19320 1/20 0.46
EYA2 O00167 1/20 0.46
SLC22A12 Q96S37 1/20 0.45

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
SCHEMBL6052442 0.84 VCAM1 (0.53) SMN1; SMN2ALDH1A1LMNAHTTCYP19A1
SCHEMBL11093863 0.82 KDM4E (0.50) SMN1; SMN2ALDH1A1LMNAHTTCYP19A1
SCHEMBL5570082 0.81 MEN1 (0.48) SMN1; SMN2ALDH1A1LMNAHTTCYP19A1
SCHEMBL2031800 0.81 PPARG (0.52) SMN1; SMN2ALDH1A1LMNAHTTMAPT
SCHEMBL30879375 0.81 MEN1 (0.62) SMN1; SMN2ALDH1A1LMNAHTTMAPT
SCHEMBL4033756 0.81 MEN1 (0.62) SMN1; SMN2ALDH1A1LMNAHTTMAPT
SCHEMBL2644891 0.81 LMNA (0.62) SMN1; SMN2ALDH1A1LMNAHTTMAPT
SCHEMBL29888811 0.81 LMNA (0.62) SMN1; SMN2ALDH1A1LMNAHTTMAPT
SCHEMBL1446664 0.81 LMNA (0.62) SMN1; SMN2ALDH1A1LMNAHTTMAPT
SCHEMBL5565241 0.80 HTT (0.60) SMN1; SMN2ALDH1A1LMNAHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232607-A1 Quinazoline Derivatives as Erbb Receptor Tyrosine kinases BRADBURY ROBERT H 2007-10-04 US disclosed
EP-1756088-A1 QUINAZOLINE DERIVATIVES AS ERBB RECEPTOR TYROSINE KINASES AstraZeneca AB (SE) 2007-02-28 EP disclosed
WO-2005118572-A1 QUINAZOLINE DERIVATIVES AS ERBB RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2005-12-15 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-20070232607-A1 Quinazoline Derivatives as Erbb Receptor Tyrosine kinases ERBB2, ERBB3, ERBB4 SMN1; SMN2 4594/4885ALDH1A1 3782/4885LMNA 3173/4885

“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.