SCHEMBL4034313

SCHEMBL4034313

O=[N+]([O-])c1ccc(Sc2ncc[nH]2)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 8/20 0.59
PDE4B Q07343 1/20 0.59
PDE4D Q08499 1/20 0.59
PDE7B Q9NP56 1/20 0.59
LMNA P02545 5/20 0.49
MAPT P10636 3/20 0.46
ALDH1A1 P00352 3/20 0.46
USP2 O75604 1/20 0.46
ALPG P10696 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.45
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
MEN1 O00255 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
SCHEMBL4030471 0.84 MAPT (0.44) PDE7APDE4BPDE4DPDE7BLMNA
SCHEMBL27581742 0.79 PDE7A (0.75) PDE7APDE4BPDE4DPDE7BLMNA
SCHEMBL28453834 0.78 RHEB (0.47) MAPTALDH1A1KMT2ATDP1MEN1
SCHEMBL4028265 0.77 PDE7A (0.72) PDE7APDE4BPDE4DPDE7BLMNA
SCHEMBL57681 0.77 MEN1 (0.51) PDE7APDE4BPDE4DPDE7BLMNA
SCHEMBL8813571 0.76 PDE7A (0.53) PDE7APDE4BPDE4DPDE7BLMNA
Hydrochloric Acid SCHEMBL10394645 0.76 MEN1 (0.50) PDE7APDE4BPDE4DPDE7BLMNA
SCHEMBL3564126 0.76 PDE7A (0.51) PDE7AMAPTALDH1A1SMN1; SMN2NPSR1
SCHEMBL715750 0.74 PDE7A (1.00) PDE7APDE4BPDE4DPDE7BLMNA
SCHEMBL4032090 0.74 PDE7A (1.00) PDE7APDE4BPDE4DPDE7BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444210-B1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-02-18 EP disclosed
US-20070082921-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-12 US disclosed
US-20050043336-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-02-24 US disclosed
EP-1444210-A1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040108-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed
US-5821246-A USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-10-13 US disclosed
EP-0790986-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1997-08-27 EP disclosed
WO-1996015118-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-05-23 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 (2 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-20050043336-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 PDE7A 3807/4885PDE4B 3143/4885PDE4D 3030/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 PDE7A 3933/4885PDE4B 3533/4885PDE4D 3566/4885

“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.