SCHEMBL10295002

SCHEMBL10295002

CCCc1cc(Nc2nc(Sc3ccc(NC(=O)C(C)C)cc3)nc(C3CC3)n2)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 15/20 0.49
▸ AURKA O14965 10/20 0.49
▸ RIPK1 Q13546 1/20 0.44
▸ SRC P12931 3/20 0.42
▸ GSK3B P49841 3/20 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
SCHEMBL10295036 0.91 AURKB (0.51) AURKBAURKARIPK1SRCGSK3B
SCHEMBL10294743 0.90 AURKB (0.61) AURKBAURKARIPK1SRCGSK3B
SCHEMBL10294896 0.89 AURKB (0.53) AURKBAURKARIPK1SRCGSK3B
SCHEMBL10294833 0.89 AURKB (0.56) AURKBAURKARIPK1SRCGSK3B
SCHEMBL10294863 0.87 AURKB (0.55) AURKBAURKARIPK1SRCGSK3B
SCHEMBL10295003 0.87 AURKB (0.47) AURKBAURKARIPK1SRCGSK3B
SCHEMBL10295034 0.87 AURKB (0.44) AURKBAURKARIPK1SRCGSK3B
SCHEMBL10294997 0.86 AURKB (0.46) AURKBAURKARIPK1SRCGSK3B
SCHEMBL10294954 0.85 AURKB (0.53) AURKBAURKARIPK1SRCGSK3B
SCHEMBL10295058 0.84 AURKB (0.41) AURKBAURKARIPK1SRCGSK3B

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-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-07-05 — — US disclosed
WO-2010144359-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS ABRAXIS BIOSCIENCE, LLC (US) 2010-12-16 — — 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-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CYP3A5, CYP11B2, ABCB1 AURKB 3449/4885AURKA 3812/4885RIPK1 4814/4885

“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.

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