SCHEMBL3500124

SCHEMBL3500124

O=C(O)c1cn2cc(-c3ccc(Cl)cc3)cnc2n1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.53
EGLN1 Q9GZT9 3/20 0.46
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
RPA1 P27694 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMO O15229 2/20 0.42
MAP4K4 O95819 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MCL1 Q07820 1/20 0.41
PPP1CA P62136 2/20 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
SCHEMBL3497386 0.81 GABRA2 (0.57) GRM5GABRA2GABRB2SMN1; SMN2
SCHEMBL3498537 0.78 EGLN1 (0.67) EGLN1GABRA2GABRB2
SCHEMBL21033716 0.77 CCNC (0.46) MAP4K4
SCHEMBL21033208 0.74 PIK3C3 (0.40) GRM5
SCHEMBL23571979 0.73 PTGS1 (0.41) GRM5
SCHEMBL2326296 0.73 PTGS1 (0.41) GRM5
SCHEMBL29489086 0.73 GRM5 (0.41) GRM5EGLN1MAP4K4L3MBTL1
SCHEMBL24369719 0.73 GRM5 (0.41) GRM5EGLN1MAP4K4L3MBTL1
SCHEMBL23534294 0.73 PORCN (0.38)
SCHEMBL4725410 0.73 MAP4K4 (0.68) EGLN1RPA1SMN1; SMN2KMOMAP4K4

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-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 EP 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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 GRM5 122/4885EGLN1 1231/4885GABRA2 317/4885

“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.