SCHEMBL10294694

SCHEMBL10294694

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 5/20 0.37
▸ AURKA O14965 5/20 0.37
▸ ULK1 O75385 1/20 0.37
▸ PAK1 Q13153 1/20 0.36
▸ RIPK1 Q13546 1/20 0.36
▸ PAK4 O96013 1/20 0.36
▸ SRC P12931 3/20 0.36
▸ GSK3B P49841 3/20 0.36
▸ IGF1R P08069 3/20 0.35
▸ NTRK1 P04629 3/20 0.34
▸ PRKAB2 O43741 1/20 0.33
▸ PRKAG1 P54619 1/20 0.33
▸ PRKAA2 P54646 1/20 0.33
▸ PRKAA1 Q13131 1/20 0.33
▸ PRKAG3 Q9UGI9 1/20 0.33
▸ PRKAG2 Q9UGJ0 1/20 0.33
▸ PRKAB1 Q9Y478 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
SCHEMBL10295013 0.89 IGF1R (0.36) AURKBAURKAULK1PAK1RIPK1
SCHEMBL10294530 0.86 AURKA (0.48) AURKBAURKAPAK1RIPK1PAK4
SCHEMBL10294994 0.86 AURKB (0.53) AURKBAURKARIPK1SRCGSK3B
SCHEMBL10294900 0.85 ULK1 (0.50) AURKBAURKAULK1PAK1PAK4
SCHEMBL10294997 0.85 AURKB (0.46) AURKBAURKAPAK1RIPK1PAK4
SCHEMBL10294899 0.84 AURKB (0.53) AURKBAURKAPAK1RIPK1PAK4
SCHEMBL10294946 0.84 AURKB (0.58) AURKBAURKARIPK1SRCGSK3B
SCHEMBL10294907 0.84 AURKB (0.37) AURKBAURKAULK1RIPK1SRC
SCHEMBL10294991 0.82 ULK1 (0.48) AURKBAURKAULK1PAK1PAK4
SCHEMBL10294757 0.82 AURKB (0.47) 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 3812/4885ULK1 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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