SCHEMBL10295007

SCHEMBL10295007

CC(C)c1cc(Nc2nc(Sc3ccc(N)cc3)nc(N3CCN(C)CC3)n2)n[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 8/20 0.54
▸ AURKB Q96GD4 4/20 0.54
▸ RIPK1 Q13546 2/20 0.54
▸ PAK1 Q13153 2/20 0.46
▸ NTRK1 P04629 4/20 0.44
▸ IGF1R P08069 5/20 0.42
▸ PAK4 O96013 2/20 0.41
▸ ABL1 P00519 2/20 0.40
▸ BCR P11274 2/20 0.40
▸ EGFR P00533 2/20 0.40
▸ FGFR2 P21802 2/20 0.40
▸ FGFR3 P22607 2/20 0.40
▸ PLK4 O00444 2/20 0.40
▸ BMPR1B O00238 1/20 0.40
▸ STK25 O00506 1/20 0.40
▸ RIOK3 O14730 1/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ GAK O14976 1/20 0.40
▸ MUSK O15146 1/20 0.40
▸ EPHB6 O15197 1/20 0.40

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
SCHEMBL10294692 0.90 AURKA (0.48) AURKAAURKBRIPK1PAK1NTRK1
SCHEMBL10294908 0.87 AURKA (0.68) AURKAAURKBRIPK1PAK1NTRK1
SCHEMBL10294987 0.87 AURKB (0.63) AURKAAURKBRIPK1PAK1NTRK1
SCHEMBL10294855 0.86 AURKB (0.62) AURKAAURKBRIPK1PAK1NTRK1
SCHEMBL10295010 0.86 AURKA (0.56) AURKAAURKBRIPK1PAK1NTRK1
SCHEMBL10294700 0.85 AURKA (0.54) AURKAAURKBRIPK1PAK1NTRK1
SCHEMBL10294988 0.85 AURKB (0.61) AURKAAURKBRIPK1PAK1NTRK1
SCHEMBL10294967 0.84 AURKA (0.75) AURKAAURKBRIPK1PAK1NTRK1
SCHEMBL10294844 0.84 AURKA (0.56) AURKAAURKBRIPK1PAK1NTRK1
SCHEMBL10294913 0.84 AURKA (0.57) AURKAAURKBRIPK1PAK1NTRK1

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 AURKA 3812/4885AURKB 3449/4885RIPK1 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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