SCHEMBL5570082

SCHEMBL5570082

Cc1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cn1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
VCAM1 P19320 1/20 0.45
ESRRA P11474 1/20 0.42
HTT P42858 3/20 0.42
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 5/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 4/20 0.41
EYA2 O00167 1/20 0.41
PLA2G7 Q13093 1/20 0.41
HSPB1 P04792 1/20 0.40
SLC22A12 Q96S37 3/20 0.40
S1PR4 O95977 1/20 0.40
CYP19A1 P11511 1/20 0.40
PDE7A Q13946 1/20 0.40

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
SCHEMBL29888161 0.83 MEN1 (0.53) MEN1KMT2AHTTLMNAALDH1A1
SCHEMBL216106 0.83 MEN1 (0.53) MEN1KMT2AHTTLMNAALDH1A1
SCHEMBL5570077 0.81 SMN1; SMN2 (0.64) MEN1KMT2AVCAM1HTTLMNA
SCHEMBL1406554 0.81 KMT2A (0.63) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL5567177 0.81 KMT2A (0.51) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL1406484 0.81 HSPB1 (0.57) MEN1KMT2AHTTLMNAALDH1A1
SCHEMBL30676036 0.79 ESRRA (0.54) VCAM1ESRRAHTTLMNASMN1; SMN2
SCHEMBL26926649 0.79 ESRRA (0.54) VCAM1ESRRAHTTLMNASMN1; SMN2
SCHEMBL2030047 0.78 ESRRA (0.51) MEN1KMT2AVCAM1ESRRAHTT
SCHEMBL5172391 0.78 ALDH1A1 (0.66) MEN1KMT2AVCAM1ESRRAHTT

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 MEN1 1605/4885KMT2A 2263/4885VCAM1 3447/4885

“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.