SCHEMBL4029319

SCHEMBL4029319

Cc1cc(COc2ccc([N+](=O)[O-])cc2I)no1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
AKR1C3 P42330 3/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
MAPK1 P28482 1/20 0.38
NOS1 P29475 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
S1PR4 O95977 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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 0.88 ALDH1A1 (0.43) MAPTKMT2AMEN1LMNAKDM4E
SCHEMBL4003095 0.85 S1PR4 (0.53) MAPTKMT2AMEN1LMNAKDM4E
SCHEMBL4000484 0.81 LMNA (0.57) MAPTKMT2AMEN1LMNARAB9A
SCHEMBL4033792 0.81 AKR1C3 (0.38) MAPTKMT2AMEN1LMNAKDM4E
SCHEMBL4030369 0.76 MAPT (0.45) MAPTKMT2AMEN1LMNAKDM4E
SCHEMBL4962536 0.74 MAPT (0.55) MAPTKMT2AMEN1LMNAKDM4E
SCHEMBL7654335 0.72 MEN1 (0.65) MAPTKMT2AMEN1
SCHEMBL12573338 0.72 S1PR4 (0.43) MAPTKMT2AMEN1LMNAKDM4E
SCHEMBL1666092 0.71 ALDH1A1 (0.43) MAPTLMNAKDM4ERAB9ANPC1
SCHEMBL5099603 0.71 MAPT (0.48) MAPTKMT2AMEN1LMNARAB9A

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

“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.