SCHEMBL10295013

SCHEMBL10295013

CC(C)c1cc(Nc2nc(Sc3cccc(N)c3)nc(C3CC3)n2)n[nH]1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 5/20 0.36
▸ PAK1 Q13153 2/20 0.35
▸ PAK4 O96013 2/20 0.35
▸ AURKA O14965 6/20 0.34
▸ NTRK1 P04629 3/20 0.34
▸ AURKB Q96GD4 5/20 0.33
▸ GSK3B P49841 3/20 0.33
▸ ULK1 O75385 1/20 0.33
▸ SRC P12931 2/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ RET P07949 1/20 0.32
▸ RIPK1 Q13546 1/20 0.32

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
SCHEMBL10294694 0.89 AURKB (0.37) IGF1RPAK1PAK4AURKANTRK1
SCHEMBL10294699 0.87 AURKA (0.45) IGF1RAURKANTRK1AURKBGSK3B
SCHEMBL10294902 0.86 IGF1R (0.49) IGF1RPAK1PAK4AURKANTRK1
SCHEMBL10294871 0.85 IGF1R (0.36) IGF1RAURKANTRK1AURKBGSK3B
SCHEMBL10294912 0.83 IGF1R (0.47) IGF1RPAK1PAK4AURKANTRK1
SCHEMBL10294916 0.83 PAK1 (0.37) IGF1RPAK1AURKANTRK1AURKB
SCHEMBL10294692 0.80 AURKA (0.48) IGF1RPAK1PAK4AURKANTRK1
SCHEMBL10294994 0.80 AURKB (0.53) IGF1RAURKAAURKBGSK3BSRC
SCHEMBL10294997 0.79 AURKB (0.46) IGF1RPAK1PAK4AURKANTRK1
SCHEMBL10294899 0.78 AURKB (0.53) IGF1RPAK1PAK4AURKANTRK1

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 IGF1R 4230/4885PAK1 4091/4885PAK4 3960/4885

“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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