SCHEMBL13452995

SCHEMBL13452995

CC(c1ccc2cccn2c1)n1nnc2ncc(-c3cn[nH]c3)nc21

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MET P08581 19/20 0.52
NQO2 P16083 1/20 0.52
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47
ROCK2 O75116 1/20 0.37

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
SCHEMBL12487598 0.85 MET (0.72) METNQO2PDE4CPDE4DPDE3B
SCHEMBL25426802 0.85 MET (0.72) METNQO2PDE4CPDE4DPDE3B
SCHEMBL16587092 0.84 MET (0.73) METNQO2PDE4CPDE4DPDE3B
SCHEMBL16587157 0.84 MET (0.73) METNQO2PDE4CPDE4DPDE3B
SCHEMBL16587124 0.81 MET (0.57) METNQO2PDE4CPDE4DPDE3B
SCHEMBL16587138 0.76 PIK3CD (0.45) METNQO2PDE4CPDE4DPDE3B
SCHEMBL16587175 0.72 MET (0.57) METNQO2PDE4CPDE4DPDE3B
SCHEMBL20004072 0.69 MET (0.78) METNQO2PDE4CPDE4DPDE3B
SCHEMBL21801854 0.69 MET (0.78) METNQO2PDE4CPDE4DPDE3B
SCHEMBL30733000 0.69 MET (0.78) METNQO2PDE4CPDE4DPDE3B

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 4 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
US-20120264739-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2012-10-18 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 (2 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-20120264739-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR KCNJ11, NISCH, CYP4Z1 MET 4578/4885NQO2 627/4885PDE4C 79/4885
US-20170027934-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR KCNJ11, NISCH, CYP4Z1 MET 4578/4885NQO2 627/4885PDE4C 79/4885

“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.