SCHEMBL4031084

SCHEMBL4031084

[c]1sccc1-c1ncn[nH]1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.38
ENPP2 Q13822 1/20 0.36
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
COMT P21964 1/20 0.33
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 1/20 0.31
PIM1 P11309 2/20 0.31
CSNK2B P67870 2/20 0.31
CSNK2A1 P68400 2/20 0.31
PIM2 Q9P1W9 2/20 0.31

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
SCHEMBL3744556 0.68 IDO1 (0.50) IDO1ENPP2ALDH1A1COMTKDM4E
SCHEMBL2721372 0.60 IDO1 (0.60) IDO1ENPP2ALDH1A1GAAKDM4E
SCHEMBL11683834 0.55 IDO1 (1.00) IDO1ENPP2ALDH1A1GAAKDM4E
SCHEMBL3180547 0.55 ALDH1A1 (0.52) IDO1ENPP2ALDH1A1GAAKDM4E
SCHEMBL971897 0.55 IDO1 (0.61) IDO1ALDH1A1PIM1CSNK2BCSNK2A1
SCHEMBL12469918 0.55 IDO1 (0.35) IDO1ENPP2COMTKDM4ECYP3A4
SCHEMBL15681354 0.54 IDO1 (0.38) IDO1ENPP2KDM4ECYP3A4
SCHEMBL15926108 0.53 CCR1 (0.57) IDO1ENPP2ALDH1A1KDM4E
SCHEMBL5820691 0.52 IDO1 (0.53) IDO1ENPP2GAAKDM4ECYP3A4
SCHEMBL3378014 0.52 MKNK1 (0.46) IDO1ENPP2PIM1CSNK2BCSNK2A1

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-1444211-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US disclosed
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 US disclosed
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040109-A2 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-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 IDO1 783/4885ENPP2 2718/4885ALDH1A1 3334/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 IDO1 1063/4885ENPP2 2927/4885ALDH1A1 4094/4885

“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.