SCHEMBL15837013

SCHEMBL15837013

CC1C2N(C(=O)CN(C)N2C(=O)NCc2ccccc2)C(Cc2ccc(OP(=O)(O)O)cc2)C(=O)N1Cc1cccc2ccccc12

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 4/20 0.83
TCF4 P15884 3/20 0.83
CREBBP Q92793 2/20 0.83
CLPP Q16740 6/20 0.48
TCF7 P36402 2/20 0.47
BCL9 O00512 1/20 0.47
CYP3A4 P08684 10/20 0.42
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL1591810 1.00 CTNNB1 (0.83) CTNNB1TCF4CREBBPCLPPTCF7
SCHEMBL15960522 1.00 CTNNB1 (0.83) CTNNB1TCF4CREBBPCLPPTCF7
SCHEMBL1592761 0.99 CTNNB1 (0.82) CTNNB1TCF4CREBBPCLPPTCF7
SCHEMBL1560092 0.94 CTNNB1 (0.74) CTNNB1TCF4CREBBPCLPPTCF7
Phosphoric Acid SCHEMBL25384064 0.91 CTNNB1 (0.69) CTNNB1TCF4CREBBPCLPPTCF7
SCHEMBL30674063 0.91 CTNNB1 (1.00) CTNNB1TCF4CREBBPCLPPTCF7
SCHEMBL1591981 0.91 CTNNB1 (1.00) CTNNB1TCF4CREBBPCLPPTCF7
SCHEMBL29372747 0.91 CTNNB1 (1.00) CTNNB1TCF4CREBBPCLPPTCF7
SCHEMBL16860492 0.91 CTNNB1 (0.77) CTNNB1TCF4CREBBPCLPPTCF7
SCHEMBL30671531 0.91 CTNNB1 (1.00) CTNNB1TCF4CREBBPCLPPTCF7

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 3 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-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-20140179633-A1 COMPOSITION COMPRISING PYRAZINO-TRIAZINE DERIVATIVES JW PHARMACEUTICAL CORPORATION (KR) 2014-06-26 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 (2 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-20140179633-A1 COMPOSITION COMPRISING PYRAZINO-TRIAZINE DERIVATIVES WIZ, ABCG2, THPO CTNNB1 1714/4885TCF4 559/4885CREBBP 1638/4885
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.