SCHEMBL13629314

SCHEMBL13629314

Nc1cnc2cnc3ncc(Cl)cc3c(=O)c2c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.39
IDO1 P14902 1/20 0.36
PARP1 P09874 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
RPS6KA3 P51812 1/20 0.32
CSNK2A1 P68400 1/20 0.32
PLK3 Q9H4B4 1/20 0.32
NR4A2 P43354 1/20 0.30
MAP4K4 O95819 1/20 0.30

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
SCHEMBL13629313 0.79 MET (0.41) METIDO1PARP1MAPKAPK2RPS6KA3
SCHEMBL13629356 0.79 MET (0.39) MET
SCHEMBL2325786 0.75 MET (0.59) METPARP1MAPKAPK2RPS6KA3CSNK2A1
SCHEMBL31378721 0.67 HTT (0.38) IDO1
SCHEMBL4326486 0.66 MET (0.49) METPARP1NR4A2
SCHEMBL10203085 0.65 MET (0.58) MET
SCHEMBL4317048 0.64 MET (0.56) METPARP1
SCHEMBL4467541 0.63 NPC1 (0.42) MET
SCHEMBL2448419 0.62 MET (0.59) METPARP1
SCHEMBL2330091 0.62 MET (0.59) METPARP1

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-20090291941-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2009-11-26 US disclosed
US-20090291941-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2009-11-26 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-20090291941-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, RET MET 4/4885IDO1 2375/4885PARP1 1817/4885

“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.