SCHEMBL15960519

SCHEMBL15960519

C[C@H]1[C@H]2N(C(=O)CN(C)N2C(=O)NCc2ccccc2)[C@@H](Cc2ccc(O)cc2)C(=O)N1Cc1cccc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.67
TCF4 P15884 2/20 0.67
CREBBP Q92793 2/20 0.67
TCF7 P36402 2/20 0.56
CLPP Q16740 2/20 0.56
BCL9 O00512 1/20 0.56
CYP3A4 P08684 16/20 0.47

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
SCHEMBL15962638 1.00 CTNNB1 (0.67) CTNNB1TCF4CREBBPTCF7CLPP
SCHEMBL29506801 1.00 CTNNB1 (0.67) CTNNB1TCF4CREBBPTCF7CLPP
SCHEMBL1591177 1.00 CTNNB1 (0.67) CTNNB1TCF4CREBBPTCF7CLPP
SCHEMBL15309304 0.97 CTNNB1 (0.63) CTNNB1TCF4CREBBPTCF7CLPP
SCHEMBL15309547 0.95 CTNNB1 (0.61) CTNNB1TCF4CREBBPTCF7CLPP
SCHEMBL15309477 0.94 CTNNB1 (0.64) CTNNB1TCF4CREBBPTCF7CLPP
SCHEMBL15309631 0.93 CTNNB1 (0.59) CTNNB1TCF4CREBBPTCF7CLPP
SCHEMBL29506800 0.93 CTNNB1 (0.65) CTNNB1TCF4CREBBPTCF7CLPP
SCHEMBL1591567 0.93 CTNNB1 (0.65) CTNNB1TCF4CREBBPTCF7CLPP
SCHEMBL16966310 0.92 CTNNB1 (0.65) CTNNB1TCF4CREBBPTCF7CLPP

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-9353119-B2 Composition for preventing and treating non-small cell lung cancer, containing pyrazino-triazine derivatives JW PHARMACEUTICAL CORPORATION (KR) 2016-05-31 US disclosed
US-9353119-B2 Composition for preventing and treating non-small cell lung cancer, containing pyrazino-triazine derivatives JW PHARMACEUTICAL CORPORATION (KR) 2016-05-31 US disclosed
US-20140235581-A1 COMPOSITION FOR PREVENTING AND TREATING NON-SMALL CELL LUNG CANCER, CONTAINING PYRAZINO-TRIAZINE DERIVATIVES JW PHARMACEUTICAL CORPORATION (KR) 2014-08-21 US disclosed
US-20140235581-A1 COMPOSITION FOR PREVENTING AND TREATING NON-SMALL CELL LUNG CANCER, CONTAINING PYRAZINO-TRIAZINE DERIVATIVES JW PHARMACEUTICAL CORPORATION (KR) 2014-08-21 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-20140235581-A1 COMPOSITION FOR PREVENTING AND TREATING NON-SMALL CELL LUNG CANCER, CONTAINING PYRAZINO-TRIAZINE DERIVATIVES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53, HDAC5 CTNNB1 893/4885TCF4 1126/4885CREBBP 503/4885

“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.