SCHEMBL10294838

SCHEMBL10294838

O=C(Nc1ccc(Sc2nc(Nc3cc(C4CC4)[nH]n3)nc(C3CC3)n2)cc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 3/20 0.58
▸ SRC P12931 2/20 0.58
▸ GSK3B P49841 2/20 0.58
▸ CCNA2 P20248 12/20 0.56
▸ CDK2 P24941 12/20 0.56
▸ CCNA1 P78396 12/20 0.56
▸ IGF1R P08069 2/20 0.50
▸ ULK1 O75385 1/20 0.44
▸ AURKA O14965 1/20 0.44

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
SCHEMBL10294933 0.97 AURKB (0.56) AURKBSRCGSK3BCCNA2CDK2
SCHEMBL10294845 0.90 AURKB (0.55) AURKBSRCGSK3BCCNA2CDK2
SCHEMBL10294760 0.88 AURKB (0.47) AURKBSRCGSK3BCCNA2CDK2
SCHEMBL10294757 0.88 AURKB (0.47) AURKBSRCGSK3BCCNA2CDK2
SCHEMBL10294768 0.87 AURKB (0.67) AURKBSRCGSK3BIGF1RAURKA
SCHEMBL10295003 0.87 AURKB (0.47) AURKBSRCGSK3BCCNA2CDK2
SCHEMBL10294831 0.86 AURKB (0.54) AURKBSRCGSK3BIGF1RAURKA
SCHEMBL10295014 0.85 AURKB (0.64) AURKBSRCGSK3BIGF1RAURKA
SCHEMBL10294843 0.85 AURKB (0.61) AURKBSRCGSK3BAURKA
SCHEMBL10294863 0.85 AURKB (0.55) AURKBSRCGSK3BCCNA2CDK2

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 3449/4885SRC 1662/4885GSK3B 1084/4885

“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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