SCHEMBL10294990

SCHEMBL10294990

CC(C)C(=O)Nc1ccc(Sc2nc(Nc3cc(C4CCC4)[nH]n3)nc(N3CCN(C)CC3)n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 8/20 0.65
▸ AURKA O14965 6/20 0.65
▸ RIPK1 Q13546 2/20 0.65
▸ NTRK1 P04629 2/20 0.52
▸ RET P07949 3/20 0.48
▸ PLK4 O00444 3/20 0.48
▸ IGF1R P08069 3/20 0.48
▸ SRC P12931 2/20 0.48
▸ ABL1 P00519 2/20 0.48
▸ BCR P11274 2/20 0.48
▸ PAK1 Q13153 2/20 0.48
▸ AURKC Q9UQB9 2/20 0.48
▸ LCK P06239 2/20 0.48
▸ ITK Q08881 2/20 0.48
▸ BMPR1B O00238 1/20 0.48
▸ STK25 O00506 1/20 0.48
▸ RIOK3 O14730 1/20 0.48
▸ CHEK1 O14757 1/20 0.48
▸ GAK O14976 1/20 0.48
▸ MUSK O15146 1/20 0.48

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
SCHEMBL10294830 0.97 AURKB (0.64) AURKBAURKARIPK1NTRK1RET
SCHEMBL10294969 0.92 AURKA (0.67) AURKBAURKARIPK1NTRK1RET
SCHEMBL10294687 0.90 AURKA (0.77) AURKBAURKARIPK1NTRK1RET
SCHEMBL10294961 0.89 AURKB (0.65) AURKBAURKARIPK1NTRK1RET
SCHEMBL10295009 0.88 AURKA (0.67) AURKBAURKARIPK1NTRK1RET
SCHEMBL10295017 0.88 AURKB (0.63) AURKBAURKARIPK1NTRK1RET
SCHEMBL10294886 0.87 AURKA (0.75) AURKBAURKARIPK1NTRK1RET
SCHEMBL10295035 0.87 AURKA (0.57) AURKBAURKARIPK1NTRK1RET
SCHEMBL10294858 0.87 AURKA (0.76) AURKBAURKARIPK1NTRK1RET
SCHEMBL10294855 0.87 AURKB (0.62) AURKBAURKARIPK1NTRK1RET

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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