SCHEMBL10294907

SCHEMBL10294907

CC(C)(C)c1cc(Nc2nc(Sc3ccc(N)cc3)nc(C3CC3)n2)n[nH]1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 5/20 0.37
▸ AURKA O14965 4/20 0.37
▸ ULK1 O75385 1/20 0.37
▸ RIPK1 Q13546 1/20 0.36
▸ SRC P12931 2/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ IGF1R P08069 3/20 0.35
▸ PLK4 O00444 1/20 0.34
▸ JAK3 P52333 3/20 0.34
▸ BTK Q06187 3/20 0.34
▸ NTRK1 P04629 2/20 0.34
▸ RET P07949 1/20 0.33
▸ SPAST Q9UBP0 1/20 0.33

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
SCHEMBL10294871 0.89 IGF1R (0.36) AURKBAURKAULK1SRCGSK3B
SCHEMBL10294530 0.86 AURKA (0.48) AURKBAURKARIPK1SRCGSK3B
SCHEMBL10295031 0.86 AURKB (0.53) AURKBAURKARIPK1SRCGSK3B
SCHEMBL10294900 0.85 ULK1 (0.50) AURKBAURKAULK1SRCGSK3B
SCHEMBL10294840 0.84 AURKB (0.53) AURKBAURKARIPK1SRCGSK3B
SCHEMBL10295058 0.84 AURKB (0.41) AURKBAURKAULK1RIPK1SRC
SCHEMBL10295034 0.84 AURKB (0.44) AURKBAURKARIPK1SRCGSK3B
SCHEMBL10295037 0.84 AURKB (0.58) AURKBAURKASRCGSK3BJAK3
SCHEMBL10294694 0.84 AURKB (0.37) AURKBAURKAULK1RIPK1SRC
SCHEMBL10294991 0.82 ULK1 (0.48) AURKBAURKAULK1SRCGSK3B

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 3812/4885ULK1 2080/4885

“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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