SCHEMBL4033959

SCHEMBL4033959

Cc1cc([N+](=O)[O-])ccc1NCc1ccccn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.66
KMT2A Q03164 9/20 0.66
MEN1 O00255 8/20 0.66
CRHBP P24387 4/20 0.66
CRHR2 Q13324 4/20 0.66
CYP1A2 P05177 3/20 0.66
CYP3A4 P08684 3/20 0.66
CYP2D6 P10635 2/20 0.66
CYP2C9 P11712 2/20 0.66
CYP2C19 P33261 2/20 0.66
ALPG P10696 1/20 0.59
ALDH1A1 P00352 7/20 0.58
KDM4E B2RXH2 1/20 0.58
THRB P10828 1/20 0.56
CTSB P07858 1/20 0.55
POLB P06746 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
HTT P42858 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL4844382 0.88 ALDH1A1 (0.70) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL4750907 0.86 CTSB (0.62) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL4748494 0.85 CTSB (0.55) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL18343631 0.85 CTSB (0.55) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL6754375 0.84 ALDH1A1 (0.53) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL6794968 0.81 L3MBTL1 (0.62) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL2059682 0.80 MAPT (1.00) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL3708321 0.78 MAOA (0.63) MAPTKMT2AMEN1CYP1A2CYP3A4
SCHEMBL4032494 0.77 MEN1 (0.73) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL15452644 0.77 MAPT (0.61) MAPTKMT2AMEN1CYP1A2CYP3A4

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.