SCHEMBL4028813

SCHEMBL4028813

Nc1ccc(Oc2cccc(F)c2F)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.38
SLC6A3 Q01959 6/20 0.38
SLC6A4 P31645 4/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 1/20 0.38
HTR1A P08908 2/20 0.37
TRPA1 O75762 1/20 0.37
HSP90AA1 P07900 2/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
ERBB3 P21860 1/20 0.36
ERBB4 Q15303 1/20 0.36
PDE7A Q13946 1/20 0.36
RHEB Q15382 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
SCN9A Q15858 2/20 0.35

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
SCHEMBL2330113 0.87 MEN1 (0.49) SLC6A2SLC6A3SLC6A4CYP3A4TSHR
SCHEMBL2881518 0.81 AR (0.42) SLC6A2SLC6A3SLC6A4CYP3A4TSHR
SCHEMBL1964539 0.80 CYP3A4 (0.56) SLC6A2SLC6A3SLC6A4CYP3A4TSHR
SCHEMBL632218 0.79 CYP3A4 (0.46) SLC6A2SLC6A3SLC6A4CYP3A4TSHR
SCHEMBL22069692 0.78 RHEB (0.45) SLC6A2SLC6A3SLC6A4CYP3A4TSHR
SCHEMBL13928138 0.77 CYP2C19 (0.43) SLC6A2SLC6A3SLC6A4HTR1ATRPA1
SCHEMBL13950978 0.77 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4TTR
SCHEMBL8154176 0.77 CYP3A4 (0.41) SLC6A2SLC6A3SLC6A4CYP3A4TSHR
SCHEMBL9517127 0.77 CYP3A4 (0.52) SLC6A2SLC6A3SLC6A4CYP3A4TSHR
SCHEMBL27859496 0.76 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4HTR1ATRPA1

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 5 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

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 SLC6A2 4013/4885SLC6A3 2499/4885SLC6A4 3630/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 SLC6A2 3730/4885SLC6A3 2252/4885SLC6A4 2915/4885

“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.