SCHEMBL4030970

SCHEMBL4030970

Cc1cc(COc2ccc([N+](=O)[O-])cc2Cl)on1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ RAB9A P51151 4/20 0.50
▸ NPC1 O15118 4/20 0.50
▸ MAPT P10636 9/20 0.49
▸ LMNA P02545 5/20 0.49
▸ HPGD P15428 5/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ SMN1; SMN2 Q16637 5/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ MRGPRX4 Q96LA9 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ STAT3 P40763 1/20 0.44
▸ STAT1 P42224 1/20 0.44

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
SCHEMBL10938868 0.81 MEN1 (0.52) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL23537895 0.81 MAPT (0.49) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL4029373 0.78 MEN1 (0.60) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL21835334 0.77 MAPT (0.50) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL23538123 0.77 MAPT (0.50) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL12173113 0.76 MAPT (0.58) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL23538144 0.76 MAPT (0.63) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL1015664 0.76 MAPT (0.53) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL6816187 0.74 MAPT (0.79) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL4407573 0.74 RAB9A (0.63) KMT2AMEN1RAB9ANPC1MAPT

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 6 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
CN-1585754-A Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-02-23 — — CN 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 KMT2A 1693/4885MEN1 1212/4885RAB9A 978/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 KMT2A 1786/4885MEN1 2352/4885RAB9A 464/4885

“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.

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