SCHEMBL4184934

SCHEMBL4184934

CNc1nc(NCc2ccc(NC(=O)c3cccnc3)cc2)c2cc([N+](=O)[O-])ccc2n1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.57
CTNNB1 P35222 18/20 0.56
TCF7L2 Q9NQB0 18/20 0.56

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
SCHEMBL4173478 0.86 CTNNB1 (0.74) CTNNB1TCF7L2
SCHEMBL4171599 0.86 CTNNB1 (0.76) CTNNB1TCF7L2
SCHEMBL2256396 0.76 CTNNB1 (0.55) PDE5ACTNNB1TCF7L2
SCHEMBL25277062 0.74 ALDH1A1 (0.79)
SCHEMBL4175985 0.73 CTNNB1 (0.80) CTNNB1TCF7L2
SCHEMBL7287561 0.73 PDE5A (1.00) PDE5A
SCHEMBL4166680 0.72 CTNNB1 (1.00) CTNNB1TCF7L2
SCHEMBL4170114 0.72 CTNNB1 (1.00) CTNNB1TCF7L2
SCHEMBL4173423 0.72 CTNNB1 (1.00) CTNNB1TCF7L2
SCHEMBL4175344 0.72 CTNNB1 (1.00) 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 4 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 claimed
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 claimed
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 PDE5A 3490/4885CTNNB1 2/4885TCF7L2 4/4885

“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.