SCHEMBL4032108

SCHEMBL4032108

C[Si](C)(C)C#Cc1cc([N+](=O)[O-])ccc1OCc1c(F)cccc1F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.39
S1PR4 O95977 1/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
AKR1C3 P42330 3/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP19A1 P11511 4/20 0.36
GRM5 P41594 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
EPHX2 P34913 1/20 0.35
F7 P08709 1/20 0.35
F3 P13726 1/20 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
SCHEMBL4031728 0.88 HSPB1 (0.41) HSPB1S1PR4MAPTMEN1KMT2A
SCHEMBL4031174 0.85 MEN1 (0.45) MAPTMEN1KMT2ALMNAPKM
SCHEMBL8810695 0.77 MAPT (0.49) HSPB1MAPTMEN1KMT2ALMNA
SCHEMBL4031192 0.77 MEN1 (0.39) S1PR4MAPTMEN1KMT2AAKR1C3
SCHEMBL4033792 0.77 AKR1C3 (0.38) S1PR4MAPTMEN1KMT2AAKR1C3
SCHEMBL20302648 0.77 TDP1 (0.53) MAPTMEN1KMT2ALMNAPKM
SCHEMBL30166675 0.77 TDP1 (0.53) MAPTMEN1KMT2ALMNAPKM
SCHEMBL643730 0.76 ALDH1A1 (0.49) S1PR4MAPTMEN1KMT2ALMNA
SCHEMBL4034117 0.76 HSPB1 (0.46) HSPB1S1PR4MAPTMEN1KMT2A
SCHEMBL2701819 0.74 MEN1 (0.43) MAPTMEN1KMT2ALMNAPKM

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 HSPB1 3772/4885S1PR4 3886/4885MAPT 4300/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 HSPB1 3789/4885S1PR4 3597/4885MAPT 4124/4885

“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.