SCHEMBL4177801

SCHEMBL4177801

Cc1cccc2c(NCc3ccc([N+](=O)[O-])cc3)nc(Cl)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
CTNNB1 P35222 2/20 0.47
TCF7L2 Q9NQB0 2/20 0.47
TNKS O95271 1/20 0.46
PARP1 P09874 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
PDE5A O76074 2/20 0.45
APP P05067 1/20 0.45
MAPT P10636 4/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 2/20 0.44
PTPRF P10586 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN11 Q06124 1/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL4177581 0.85 CTNNB1 (0.58) MEN1KMT2ACTNNB1TCF7L2TNKS
SCHEMBL16181578 0.83 APP (0.65) MEN1KMT2ACTNNB1TCF7L2PDE5A
SCHEMBL3106133 0.81 PDE5A (0.71) MEN1KMT2APDE5AAPPMAPT
SCHEMBL3108353 0.80 CCNE2 (0.54) CTNNB1TCF7L2PDE5AAPPMAPT
SCHEMBL4178593 0.77 MEN1 (0.49) MEN1KMT2ACTNNB1TCF7L2PDE5A
SCHEMBL3108705 0.74 KMT2A (0.69) MEN1KMT2APDE5AAPPMAPT
SCHEMBL23202898 0.73 KMT2A (0.47) MEN1KMT2ATNKSPARP1TNKS2
SCHEMBL30827818 0.73 KMT2A (0.47) MEN1KMT2ATNKSPARP1TNKS2
SCHEMBL7677192 0.73 PDE5A (0.64) MEN1KMT2APDE5AAPPMAPT
SCHEMBL4176645 0.72 CTNNB1 (0.65) 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 1372/4885CTNNB1 2/4885

“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.