SCHEMBL4031948

SCHEMBL4031948

Cn1ccnc1Sc1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
LMNA P02545 4/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 4/20 0.49
MEN1 O00255 2/20 0.49
GAA P10253 2/20 0.49
HTT P42858 2/20 0.47
PKM P14618 1/20 0.45
GCK P35557 5/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL5138758 0.85 LMNA (0.62) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL5654395 0.81 ALDH1A1 (0.59) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL4033994 0.80 ALDH1A1 (0.55) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL10396010 0.80 ALDH1A1 (0.70) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL1065694 0.78 LMNA (0.57) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL4029532 0.77 GCK (0.54) ALDH1A1LMNAKMT2AGCK
SCHEMBL31217501 0.77 TXNRD1 (0.63) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL10395335 0.75 ALDH1A1 (0.72) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL10395407 0.74 KMT2A (0.81) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL10395362 0.74 ALDH1A1 (0.66) ALDH1A1LMNAKMT2AMAPTMEN1

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 11 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
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
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
EP-1444210-A1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed
WO-2003040108-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed
US-4973599-A ANTIINFLAMMATORY AGENTS HOFFMAN-LA ROCHE INC. (US) 1990-11-27 US 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 ALDH1A1 3334/4885LMNA 3367/4885KMT2A 1693/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 ALDH1A1 4094/4885LMNA 3726/4885KMT2A 1786/4885
US-20050043336-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 ALDH1A1 3334/4885LMNA 3367/4885KMT2A 1693/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 ALDH1A1 4094/4885LMNA 3726/4885KMT2A 1786/4885

“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.