SCHEMBL4196697

SCHEMBL4196697

CCN(Cc1ccccn1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.49
NR1H3 Q13133 1/20 0.49
ALDH1A1 P00352 8/20 0.48
MAPT P10636 5/20 0.48
CYP1A2 P05177 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CYP3A4 P08684 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CXCR3 P49682 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.43

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
SCHEMBL5813680 0.81 ALDH1A1 (0.58) ALDH1A1MAPTCYP1A2MEN1KMT2A
SCHEMBL4196693 0.78 ALDH1A1 (0.49) NR1H2NR1H3ALDH1A1MAPTMEN1
SCHEMBL18741270 0.77 KMT2A (0.50) NR1H2NR1H3ALDH1A1MAPTCYP1A2
SCHEMBL18741238 0.74 KMT2A (0.49) ALDH1A1MAPTCYP1A2MEN1KMT2A
SCHEMBL11681034 0.73 ALDH1A1 (0.51) ALDH1A1MAPTCYP1A2MEN1KMT2A
SCHEMBL7467742 0.73 ALDH1A1 (0.55) ALDH1A1MAPTCYP1A2MEN1KMT2A
SCHEMBL7467722 0.73 ALDH1A1 (0.51) ALDH1A1MAPTCYP1A2MEN1KMT2A
SCHEMBL2884783 0.72 CRHBP (0.58) ALDH1A1MAPTCYP1A2MEN1KMT2A
SCHEMBL23637665 0.72 CXCR3 (0.56) ALDH1A1MAPTCYP1A2KMT2ACYP3A4
SCHEMBL1468921 0.71 CYP1A2 (0.56) ALDH1A1MAPTCYP1A2MEN1KMT2A

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 NR1H2 2777/4885NR1H3 2765/4885ALDH1A1 3334/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 NR1H2 2176/4885NR1H3 2140/4885ALDH1A1 4094/4885

“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.