SCHEMBL4174191

SCHEMBL4174191

C[C@H](Nc1nc(Cl)nc2cc(I)ccc12)c1ccc(NC(=O)c2ccc(Cl)nc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 17/20 0.81
TCF7L2 Q9NQB0 17/20 0.81
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 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
SCHEMBL4177604 0.90 CTNNB1 (0.81) CTNNB1TCF7L2RAB9ASMN1; SMN2MEN1
SCHEMBL4173134 0.90 CTNNB1 (0.81) CTNNB1TCF7L2RAB9ASMN1; SMN2MEN1
SCHEMBL4173139 0.90 CTNNB1 (0.81) CTNNB1TCF7L2RAB9ASMN1; SMN2MEN1
SCHEMBL4184908 0.90 CTNNB1 (1.00) CTNNB1TCF7L2
SCHEMBL4167914 0.85 CTNNB1 (0.81) CTNNB1TCF7L2RAB9ASMN1; SMN2MEN1
SCHEMBL4167909 0.85 CTNNB1 (0.81) CTNNB1TCF7L2RAB9ASMN1; SMN2MEN1
SCHEMBL4170056 0.82 CTNNB1 (0.79) CTNNB1TCF7L2
SCHEMBL4177234 0.80 CTNNB1 (1.00) CTNNB1TCF7L2
SCHEMBL4168616 0.80 CTNNB1 (1.00) CTNNB1TCF7L2
SCHEMBL4168614 0.80 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 1 patent. 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

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 CTNNB1 2/4885TCF7L2 4/4885RAB9A 1505/4885

“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.