SCHEMBL5478271

SCHEMBL5478271

O=c1cc(-c2nnc3n2CCCN3Cc2cc(-c3cccc(Cl)c3)on2)cn[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.52
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39
ROCK2 O75116 1/20 0.39
CHEK2 O96017 1/20 0.39
CDK1 P06493 1/20 0.39
PRKACA P17612 1/20 0.39
CDK2 P24941 1/20 0.39
MARK3 P27448 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
RPS6KA3 P51812 1/20 0.39
LIMK1 P53667 1/20 0.39
CDK5 Q00535 1/20 0.39
ROCK1 Q13464 1/20 0.39
DYRK1A Q13627 1/20 0.39
TP53 P04637 2/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL5479876 0.82 NPC1 (0.42) NPC1RAB9ATP53THRBMAPT
SCHEMBL14363432 0.82 GRM5 (0.60) GRM5NPC1RAB9ATP53THRB
SCHEMBL4232390 0.82 GRM5 (0.60) GRM5NPC1RAB9ATP53THRB
SCHEMBL5491712 0.81 NPC1 (0.41) GRM5NPC1RAB9ATP53THRB
SCHEMBL4329337 0.81 NPC1 (0.44) NPC1RAB9ATP53THRBMAPT
SCHEMBL4329036 0.80 NPC1 (0.43) NPC1RAB9ATP53THRBMAPT
SCHEMBL5483579 0.79 NPC1 (0.41) NPC1RAB9AAURKADAPK3ROCK2
SCHEMBL4330936 0.78 PSEN1 (0.45) NPC1RAB9ATP53THRBMAPT
SCHEMBL4337898 0.77 NPC1 (0.41) NPC1RAB9ATP53THRBMAPT
SCHEMBL5478173 0.77 PSEN1 (0.39) GRM5NPC1RAB9ATP53THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US claimed
WO-2007130824-A2 FUSED HETEROCYLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS ASTRAZENECA AB (SE) 2007-11-15 WO disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 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-20070259860-A1 MGluR5 modulators V GRM5, GRIK5, GRM2 GRM5 1/4885NPC1 934/4885RAB9A 854/4885

“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.