SCHEMBL4152709

SCHEMBL4152709

c1ccc2oc(-c3cnccn3)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.56
METAP2 P50579 1/20 0.54
CYP19A1 P11511 1/20 0.52
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
MAPT P10636 3/20 0.51
ADRA2A P08913 2/20 0.50
CYP11B1 P15538 1/20 0.49
MAOB P27338 4/20 0.45
MAOA P21397 3/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
HPGD P15428 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NISCH Q9Y2I1 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL29478404 0.81 GRM4 (0.61) GRM4METAP2CYP19A1NPC1RAB9A
SCHEMBL574760 0.81 GRM4 (0.61) GRM4METAP2CYP19A1NPC1RAB9A
SCHEMBL30528410 0.79 CHRM2 (0.45) GRM4METAP2CYP19A1NPC1RAB9A
SCHEMBL31298375 0.77 GRM4 (0.60) GRM4METAP2CYP19A1NPC1RAB9A
SCHEMBL8532513 0.75 GRM4 (0.55) GRM4METAP2CYP19A1NPC1RAB9A
SCHEMBL1093099 0.75 GRM4 (0.59) GRM4METAP2CYP19A1NPC1RAB9A
SCHEMBL812483 0.75 GRM4 (0.58) GRM4METAP2CYP19A1NPC1RAB9A
SCHEMBL29993564 0.75 MAOB (0.54) GRM4METAP2CYP19A1NPC1RAB9A
SCHEMBL2960606 0.75 MAOB (0.54) GRM4METAP2CYP19A1NPC1RAB9A
SCHEMBL4661027 0.73 MAOB (0.56) GRM4METAP2CYP19A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes BIOFOCUS DISCOVERY LTD. 2009-06-25 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-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes ROCK1, ROCK2, CIT GRM4 2485/4885METAP2 2594/4885CYP19A1 376/4885

“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.