SCHEMBL10294736

SCHEMBL10294736

Cc1cnc(Nc2nc(NCCCN3CCOCC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 3/20 0.43
▸ AURKA O14965 5/20 0.42
▸ AURKB Q96GD4 4/20 0.42
▸ AURKC Q9UQB9 2/20 0.42
▸ RIPK1 Q13546 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ OGA O60502 1/20 0.39
▸ BMPR1B O00238 1/20 0.39
▸ PLK4 O00444 1/20 0.39
▸ STK25 O00506 1/20 0.39
▸ RIOK3 O14730 1/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ GAK O14976 1/20 0.39
▸ MUSK O15146 1/20 0.39
▸ EPHB6 O15197 1/20 0.39
▸ PDPK1 O15530 1/20 0.39

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
SCHEMBL10294875 0.87 MERTK (0.45) LCKAURKAAURKBAURKCRIPK1
SCHEMBL10294979 0.85 AURKA (0.39) LCKAURKAAURKBAURKCRIPK1
SCHEMBL10295042 0.85 SMN1; SMN2 (0.43) LCKAURKAAURKBAURKCRIPK1
SCHEMBL10294740 0.84 AURKA (0.52) LCKAURKAAURKBAURKCRIPK1
SCHEMBL10294670 0.83 SMN1; SMN2 (0.41) LCKAURKAAURKBAURKCRIPK1
SCHEMBL10294802 0.83 AURKA (0.60) LCKAURKAAURKBAURKCRIPK1
SCHEMBL10294693 0.82 SMN1; SMN2 (0.40) LCKAURKAAURKBAURKCRIPK1
SCHEMBL10294796 0.82 AURKA (0.54) LCKAURKAAURKBAURKCRIPK1
SCHEMBL10294955 0.81 AURKA (0.57) LCKAURKAAURKBAURKCRIPK1
SCHEMBL10294671 0.80 SMN1; SMN2 (0.48) LCKAURKAAURKBAURKCRIPK1

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 LCK 1338/4885AURKA 3812/4885AURKB 3449/4885

“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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