SCHEMBL4033277

SCHEMBL4033277

Cc1cc(COc2ccc(N)cc2Cl)nn1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.43
HPGD P15428 1/20 0.40
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
IDH1 O75874 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.37
MRGPRX4 Q96LA9 5/20 0.37
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
S1PR4 O95977 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
BCHE P06276 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL4036235 0.80 SYK (0.44) SYKHPGDHTR1ADRD2HTR7
SCHEMBL4030856 0.79 MAPT (0.48) HPGDMEN1KMT2AALDH1A1CYP3A4
SCHEMBL23538130 0.75 SYK (0.45) SYKHTR1ADRD2HTR7HTR6
SCHEMBL23537766 0.74 SYK (0.41) SYKHTR1ADRD2HTR7HTR6
SCHEMBL1016955 0.74 SYK (0.50) SYKMRGPRX4TDP1S1PR4LMNA
SCHEMBL4411432 0.74 MRGPRX4 (0.48) SYKHPGDHTR1ADRD2HTR7
SCHEMBL3809625 0.74 EPHA2 (0.46) SYKHPGDMEN1KMT2AMRGPRX4
SCHEMBL29963026 0.74 SYK (0.50) SYKMRGPRX4TDP1S1PR4LMNA
SCHEMBL23537797 0.73 P2RY12 (0.40) SYKHTR1ADRD2HTR7HTR6
SCHEMBL30729931 0.73 HTR2A (0.52) SYKMEN1KMT2AALDH1A1MRGPRX4

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 SYK 318/4885HPGD 1726/4885HTR1A 1425/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 SYK 146/4885HPGD 1767/4885HTR1A 1746/4885

“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.