SCHEMBL10294898

SCHEMBL10294898

CN1CCN(c2nc(Nc3cc(C(C)(C)C)[nH]n3)nc(Sc3cccc(N)c3)n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 5/20 0.48
▸ RIPK1 Q13546 1/20 0.48
▸ AURKB Q96GD4 1/20 0.48
▸ BRAF P15056 5/20 0.45
▸ NTRK1 P04629 3/20 0.44
▸ RET P07949 3/20 0.40
▸ IGF1R P08069 3/20 0.40
▸ EGFR P00533 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
SCHEMBL10294700 0.90 AURKA (0.54) AURKARIPK1AURKBBRAFNTRK1
SCHEMBL10294909 0.88 AURKA (0.60) AURKARIPK1AURKBNTRK1RET
SCHEMBL10294823 0.86 AURKA (0.49) AURKARIPK1AURKBNTRK1RET
SCHEMBL10294692 0.86 AURKA (0.48) AURKARIPK1AURKBNTRK1IGF1R
SCHEMBL11964288 0.85 AURKA (0.56) AURKARIPK1AURKBNTRK1EGFR
SCHEMBL10294904 0.85 AURKA (0.56) AURKARIPK1AURKBNTRK1RET
SCHEMBL10294973 0.83 AURKA (0.59) AURKARIPK1AURKBNTRK1RET
SCHEMBL11964155 0.82 AURKA (0.45) AURKARIPK1AURKBNTRK1IGF1R
SCHEMBL10294957 0.81 AURKA (0.63) AURKARIPK1AURKBBRAFNTRK1
SCHEMBL10294871 0.80 IGF1R (0.36) AURKAAURKBNTRK1RETIGF1R

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 3812/4885RIPK1 4814/4885AURKB 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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