SCHEMBL10294902

SCHEMBL10294902

Nc1cccc(Sc2nc(Nc3cc(C4CC4)[nH]n3)nc(C3CC3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 10/20 0.49
▸ ULK1 O75385 1/20 0.46
▸ AURKA O14965 1/20 0.44
▸ NTRK1 P04629 1/20 0.44
▸ PAK4 O96013 2/20 0.42
▸ PAK1 Q13153 2/20 0.42
▸ SRC P12931 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ NEK1 Q96PY6 1/20 0.41

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
SCHEMBL10294912 0.97 IGF1R (0.47) IGF1RULK1AURKANTRK1PAK4
SCHEMBL10294699 0.89 AURKA (0.45) IGF1RAURKANTRK1SRCGSK3B
SCHEMBL10294900 0.88 ULK1 (0.50) IGF1RULK1AURKANTRK1PAK4
SCHEMBL10294871 0.86 IGF1R (0.36) IGF1RULK1AURKANTRK1SRC
SCHEMBL10295013 0.86 IGF1R (0.36) IGF1RULK1AURKANTRK1PAK4
SCHEMBL10294991 0.85 ULK1 (0.48) IGF1RULK1AURKANTRK1PAK4
SCHEMBL10294916 0.84 PAK1 (0.37) IGF1RULK1AURKANTRK1PAK1
SCHEMBL10294904 0.82 AURKA (0.56) IGF1RAURKANTRK1PAK4PAK1
SCHEMBL10294973 0.79 AURKA (0.59) IGF1RAURKANTRK1PAK4PAK1
SCHEMBL10294768 0.77 AURKB (0.67) IGF1RAURKASRCGSK3BAURKB

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 4230/4885ULK1 2080/4885AURKA 3812/4885

“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.

Send feedback