SCHEMBL4031362

SCHEMBL4031362

O=[N+]([O-])c1ccc2c(c1)c(Cl)cn2Cc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.44
▸ PDE7A Q13946 1/20 0.44
▸ CNR1 P21554 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40

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
SCHEMBL4029748 0.80 CNR2 (0.55) CFTRPDE7ACNR1ACHECNR2
SCHEMBL4789198 0.80 HTR6 (0.46) CFTRMAPTKMT2AMEN1LMNA
SCHEMBL4028006 0.79 SYK (0.48) CNR1ACHECNR2ALDH1A1KMT2A
SCHEMBL3509099 0.77 CFTR (0.51) CFTRALDH1A1MAPTPKMLMNA
SCHEMBL31661395 0.77 CFTR (0.51) CFTRALDH1A1MAPTPKMLMNA
SCHEMBL917196 0.75 BRD4 (0.51) CFTRALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL3648477 0.74 CFTR (0.46) CFTRCNR1ACHECNR2ALDH1A1
SCHEMBL29377752 0.71 GLS (0.62) CFTRALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL938567 0.71 GLS (0.62) CFTRALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL31035986 0.71 GLS (0.36) CNR1ACHECNR2ALDH1A1MAPT

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 9 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
EP-1444211-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-01-21 — — EP disclosed
CN-100343238-C Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2007-10-17 — — CN disclosed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 — — US disclosed
US-20070082921-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-12 — — US disclosed
CN-1764651-A Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2006-04-26 — — CN disclosed
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 CFTR 1644/4885PDE7A 3807/4885CNR1 500/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 CFTR 1035/4885PDE7A 3933/4885CNR1 501/4885
US-20050043336-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 CFTR 1644/4885PDE7A 3807/4885CNR1 500/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 CFTR 1035/4885PDE7A 3933/4885CNR1 501/4885

“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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