SCHEMBL4033792

SCHEMBL4033792

Cc1cc(COc2ccc([N+](=O)[O-])cc2C#C[Si](C)(C)C)no1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.38
MAPT P10636 4/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
ACACB O00763 1/20 0.36
MAPK1 P28482 1/20 0.35
NOS1 P29475 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
S1PR4 O95977 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PTGER1 P34995 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
SCHEMBL3996195 0.83 ALDH1A1 (0.43) AKR1C3MAPTKMT2AMEN1LMNA
SCHEMBL4003095 0.81 S1PR4 (0.53) AKR1C3MAPTKMT2AMEN1LMNA
SCHEMBL4029319 0.81 MAPT (0.43) AKR1C3MAPTKMT2AMEN1LMNA
SCHEMBL4031192 0.80 MEN1 (0.39) AKR1C3MAPTKMT2AMEN1LMNA
SCHEMBL4032108 0.77 HSPB1 (0.39) AKR1C3MAPTKMT2AMEN1LMNA
SCHEMBL4000484 0.76 LMNA (0.57) MAPTKMT2AMEN1LMNARAB9A
SCHEMBL4031728 0.76 HSPB1 (0.41) MAPTKMT2AMEN1LMNAKDM4E
SCHEMBL30166675 0.76 TDP1 (0.53) MAPTKMT2AMEN1LMNAPKM
SCHEMBL20302648 0.76 TDP1 (0.53) MAPTKMT2AMEN1LMNAPKM
SCHEMBL4031174 0.75 MEN1 (0.45) MAPTKMT2AMEN1LMNAPKM

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 AKR1C3 3135/4885MAPT 4300/4885KMT2A 1693/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 AKR1C3 3967/4885MAPT 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.