SCHEMBL3276594

SCHEMBL3276594

COc1ccc([N+](=O)[O-])c(C(=O)O)c1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.53
CTSL P07711 3/20 0.53
HTR1A P08908 1/20 0.52
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 3/20 0.51
ALDH1A1 P00352 3/20 0.47
ABCB1 P08183 1/20 0.47
HTT P42858 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PDE4D Q08499 1/20 0.45
RXRA P19793 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
CRHBP P24387 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
SCHEMBL28529323 0.86 CTSV (0.50) CTSVCTSLHTR1AADRA1DADRA1A
SCHEMBL12151484 0.84 HTR1A (0.59) CTSVCTSLHTR1AADRA1DADRA1A
SCHEMBL1319057 0.82 MAPT (0.55) MEN1KMT2AMAPTALDH1A1ABCB1
SCHEMBL7822540 0.81 CTSV (0.53) CTSVCTSLHTR1AADRA1DADRA1A
SCHEMBL4883017 0.80 HTR1A (0.55) CTSVCTSLHTR1AADRA1DADRA1A
SCHEMBL21815059 0.80 HTR1A (0.54) CTSVCTSLHTR1AADRA1DADRA1A
SCHEMBL3275499 0.79 RXRA (0.49) CTSVCTSLMEN1KMT2ANPC1
SCHEMBL9315348 0.78 MAPT (0.56) CTSVCTSLHTR1AADRA1DADRA1A
SCHEMBL9315352 0.78 MAPT (0.56) CTSVCTSLHTR1AADRA1DADRA1A
SCHEMBL9315201 0.78 HTR1A (0.47) CTSVCTSLHTR1AADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280042-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS HENNEQUIN LAURENT FRANCOIS ANDRE 2010-11-04 US disclosed
US-7696214-B2 Quinazoline derivatives for the treatment of tumours ASTRAZENECA AB (SE) 2010-04-13 US disclosed
US-7160891-B2 Quinazoline derivatives for the treatment of T cell mediated diseases ASTRAZENECA AB (SE) 2007-01-09 US disclosed
US-20060258642-A1 Quinazoline derivatives for the treatment of tumours ASTRAZENECA AB 2006-11-16 US disclosed
US-7049438-B2 Quinazoline derivatives for treatment of tumours ASTRAZENECA AB (SE) 2006-05-23 US disclosed
EP-1450808-B8 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF T CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2006-01-04 EP disclosed
EP-1450808-B1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF T CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2005-06-15 EP disclosed
US-20050038050-A1 Quinazoline derivatives for the treatment of t cell mediated diseases ASTRAZENECA AB (SE) 2005-02-17 US disclosed
US-20040214841-A1 Quinazoline derivatives for treatment of tumours ASTRAZENECA AB (SE) 2004-10-28 US disclosed
EP-1450808-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF T CELL MEDIATED DISEASES Astrazeneca AB (SE) 2004-09-01 EP disclosed
WO-2003045395-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF T CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-06-05 WO disclosed
WO-2001094341-A9 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2003-04-17 WO disclosed
EP-1292594-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS AstraZeneca AB (SE) 2003-03-19 EP disclosed
WO-2001094341-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2001-12-13 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 (4 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-20060258642-A1 Quinazoline derivatives for the treatment of tumours TPD52L2, NQO2, H1-5 CTSV 670/4885CTSL 431/4885HTR1A 1124/4885
US-20040214841-A1 Quinazoline derivatives for treatment of tumours NQO2, TOP1, TPD52L2 CTSV 555/4885CTSL 302/4885HTR1A 474/4885
US-20050038050-A1 Quinazoline derivatives for the treatment of t cell mediated diseases CD4, HLA-DRB1, IFNG CTSV 2194/4885CTSL 1495/4885HTR1A 1538/4885
US-20100280042-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS TPD52L2, NQO2, H1-5 CTSV 670/4885CTSL 431/4885HTR1A 1124/4885

“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.