SCHEMBL4031192

SCHEMBL4031192

C[Si](C)(C)C#Cc1cc([N+](=O)[O-])ccc1OCc1cscn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
METAP1 P53582 1/20 0.35
CYP19A1 P11511 7/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
S1PR4 O95977 1/20 0.32
AKR1C3 P42330 1/20 0.32
CAPN1 P07384 1/20 0.32
KDR P35968 1/20 0.32

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
SCHEMBL4033792 0.80 AKR1C3 (0.38) MEN1MAPTKMT2ALMNAKDM4E
SCHEMBL29151258 0.80 TDP1 (0.43) MEN1MAPTKMT2ALMNAKDM4E
SCHEMBL29151342 0.79 HTT (0.47) MAPTKMT2ALMNAKDM4EPKM
SCHEMBL4030369 0.79 MAPT (0.45) MEN1MAPTKMT2ALMNAKDM4E
SCHEMBL6237515 0.78 MAPT (0.48) MEN1MAPTKMT2ALMNAKDM4E
SCHEMBL4032108 0.77 HSPB1 (0.39) MEN1MAPTKMT2ALMNAKDM4E
SCHEMBL4031728 0.76 HSPB1 (0.41) MEN1MAPTKMT2ALMNAKDM4E
SCHEMBL20302648 0.76 TDP1 (0.53) MEN1MAPTKMT2ALMNAPKM
SCHEMBL30166675 0.76 TDP1 (0.53) MEN1MAPTKMT2ALMNAPKM
SCHEMBL4031174 0.75 MEN1 (0.45) MEN1MAPTKMT2ALMNAPKM

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 MEN1 1212/4885MAPT 4300/4885KMT2A 1693/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 MEN1 2352/4885MAPT 4124/4885KMT2A 1786/4885

“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.