SCHEMBL16587138

SCHEMBL16587138

COc1ncc(-c2cnc3nnn(C(C)c4ccc5cccn5c4)c3n2)cc1NS(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.45
MET P08581 13/20 0.44
NQO2 P16083 1/20 0.44
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
PIK3CA P42336 3/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CG P48736 2/20 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
SCHEMBL12689584 0.88 MET (0.59) PIK3CDMETNQO2PDE4CPDE4D
SCHEMBL13452995 0.76 MET (0.52) METNQO2PDE4CPDE4DPDE3B
SCHEMBL16587175 0.65 MET (0.57) METNQO2PDE4CPDE4DPDE3B
Savolitinib SCHEMBL12690037 0.61 MET (1.00) METNQO2PDE4CPDE4DPDE3B
Savolitinib SCHEMBL12486932 0.61 MET (1.00) METNQO2PDE4CPDE4DPDE3B
SCHEMBL30948875 0.61 MET (0.70) METNQO2PDE4CPDE4DPDE3B
SCHEMBL31120431 0.60 MET (0.69) METNQO2PDE4CPDE4DPDE3B
SCHEMBL19286558 0.60 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL31483058 0.60 PIK3CD (0.71) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL15959838 0.59 PIK3CD (0.61) PIK3CDPIK3CAPIK3CBPIK3CG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9956218-B2 Certain triazolopyridines and triazolopyrazines, compositions thereof and methods of use therefor HUTCHISON MEDIPHARMA LIMITED (CN) 2018-05-01 US disclosed
US-20170027934-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2017-02-02 US disclosed
US-8987269-B2 Certain triazolopyridines and triazolopyrazines, compositions thereof and methods of use therefor HUTCHISON MEDIPHARMA LIMITED (CN) 2015-03-24 US 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-20170027934-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR KCNJ11, NISCH, CYP4Z1 PIK3CD 1653/4885MET 4578/4885NQO2 627/4885

“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.