SCHEMBL4178593

SCHEMBL4178593

Cc1ccc2c(NCc3ccc([N+](=O)[O-])cc3)nc(Cl)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PDE5A O76074 1/20 0.48
APP P05067 1/20 0.48
EGFR P00533 1/20 0.47
CTNNB1 P35222 6/20 0.47
TCF7L2 Q9NQB0 6/20 0.47
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 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
SCHEMBL4167753 0.85 CTNNB1 (0.58) MEN1KMT2AEGFRCTNNB1TCF7L2
SCHEMBL3106133 0.83 PDE5A (0.71) MEN1KMT2APDE5AAPPEGFR
SCHEMBL3115102 0.80 HTT (0.56) MEN1KMT2APDE5AAPPEGFR
SCHEMBL7677192 0.78 PDE5A (0.64) MEN1KMT2APDE5AAPPEGFR
SCHEMBL4177801 0.77 MEN1 (0.49) MEN1KMT2APDE5AAPPEGFR
SCHEMBL2260826 0.77 EGFR (0.56) MEN1KMT2APDE5AAPPEGFR
SCHEMBL4177284 0.77 CTNNB1 (0.67) CTNNB1TCF7L2RAB9A
SCHEMBL27840330 0.76 PDE5A (0.53) MEN1KMT2APDE5AAPPEGFR
SCHEMBL4181792 0.75 CTNNB1 (0.75) CTNNB1TCF7L2
SCHEMBL4175991 0.75 CTNNB1 (0.75) CTNNB1TCF7L2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090004185-A1 AMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF BETA-CATENIN/TCF-4 PATHWAY AND CANCER TREATMENT AGENTS WYETH (US) 2009-01-01 US disclosed
WO-2008086462-A2 AMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF β-CANTENIN/TCF-4 PATHWAY AND CANCER TREATMENT AGENTS WYETH (US) 2008-07-17 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 (1 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-20090004185-A1 AMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF BETA-CATENIN/TCF-4 PATHWAY AND CANCER TREATMENT AGENTS TCF4, CTNNB1, TCF7 MEN1 3943/4885KMT2A 1372/4885PDE5A 3490/4885

“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.