SCHEMBL13744896

SCHEMBL13744896

COc1ccc(CN2CC3N(C(=O)CN(C)N3C(=O)NCc3ccccc3)C(Cc3ccc(O)cc3)C2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 17/20 0.60
CTNNB1 P35222 2/20 0.54
TCF7 P36402 2/20 0.54
BCL9 O00512 1/20 0.54
TCF4 P15884 1/20 0.54
CLPP Q16740 1/20 0.54
CREBBP Q92793 1/20 0.54

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
SCHEMBL745439 1.00 CYP3A4 (0.60) CYP3A4CTNNB1TCF7BCL9TCF4
SCHEMBL750564 1.00 CYP3A4 (0.60) CYP3A4CTNNB1TCF7BCL9TCF4
SCHEMBL10226353 1.00 CYP3A4 (0.60) CYP3A4CTNNB1TCF7BCL9TCF4
SCHEMBL10226363 0.97 CYP3A4 (0.56) CYP3A4CTNNB1TCF7BCL9TCF4
SCHEMBL750675 0.97 CYP3A4 (0.56) CYP3A4CTNNB1TCF7BCL9TCF4
SCHEMBL744634 0.97 CYP3A4 (0.56) CYP3A4CTNNB1TCF7BCL9TCF4
SCHEMBL763062 0.97 CYP3A4 (0.56) CYP3A4CTNNB1TCF7BCL9TCF4
SCHEMBL14496648 0.97 CYP3A4 (0.56) CYP3A4CTNNB1TCF7BCL9TCF4
SCHEMBL749718 0.94 CYP3A4 (0.56) CYP3A4
SCHEMBL748399 0.94 CYP3A4 (0.56) CYP3A4CLPP

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-20090215783-A1 COMPOSITION FOR INDUCTION OR INHIBITION OF STEM CELL DIFFERENTIATION CHOONGWAE PHARMA CORPORATION (KR) 2009-08-27 US disclosed
US-20090215783-A1 COMPOSITION FOR INDUCTION OR INHIBITION OF STEM CELL DIFFERENTIATION CHOONGWAE PHARMA CORPORATION (KR) 2009-08-27 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-20090215783-A1 COMPOSITION FOR INDUCTION OR INHIBITION OF STEM CELL DIFFERENTIATION MYLK2, TNNC1, MYH2 CYP3A4 4483/4885CTNNB1 966/4885TCF7 220/4885

“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.