SCHEMBL16587148

SCHEMBL16587148

C[C@@H](c1ccn2cccc2c1)n1nnc2ncc(-c3cnn(CCO)c3)nc21

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 20/20 0.79
PDE3B Q13370 3/20 0.70
PDE3A Q14432 3/20 0.70
PDE4C Q08493 2/20 0.70
PDE4D Q08499 2/20 0.70
KIT P10721 1/20 0.54
SRC P12931 1/20 0.54
PDGFRA P16234 1/20 0.54
AXL P30530 1/20 0.54
KDR P35968 1/20 0.54
MST1R Q04912 1/20 0.54
NQO2 P16083 1/20 0.51
CYP2C9 P11712 1/20 0.48
PDE10A Q9Y233 1/20 0.48

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
SCHEMBL16587133 1.00 MET (0.79) METPDE3BPDE3APDE4CPDE4D
SCHEMBL12489803 0.88 MET (1.00) METPDE3BPDE3APDE4CPDE4D
SCHEMBL12690039 0.88 MET (1.00) METPDE3BPDE3APDE4CPDE4D
SCHEMBL12487762 0.88 MET (1.00) METPDE3BPDE3APDE4CPDE4D
SCHEMBL2573215 0.82 MET (1.00) METPDE3BPDE3APDE4CPDE4D
SCHEMBL2569352 0.82 MET (1.00) METPDE3BPDE3APDE4CPDE4D
SCHEMBL2569587 0.82 MET (1.00) METPDE3BPDE3APDE4CPDE4D
SCHEMBL16587112 0.81 MET (0.78) METPDE3BPDE3APDE4CPDE4D
SCHEMBL16587124 0.80 MET (0.57) METPDE3BPDE3APDE4CPDE4D
SCHEMBL12689808 0.80 MET (0.72) METPDE3BPDE3APDE4CPDE4D

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 MET 4578/4885PDE3B 53/4885PDE3A 22/4885

“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.