SCHEMBL6484843

SCHEMBL6484843

O=C1CC(c2cccc(-c3ccncn3)c2)=Nc2ccc(Cl)cc2N1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.75
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL5564859 0.88 GRM2 (0.66) GRM2CYP3A4
SCHEMBL5557631 0.86 GRM2 (1.00) GRM2RAB9ASMN1; SMN2CYP3A4
SCHEMBL5557986 0.85 GRM2 (0.62) GRM2CYP3A4
SCHEMBL5558442 0.84 GRM2 (0.64) GRM2RAB9ASMN1; SMN2CYP3A4
SCHEMBL5563542 0.84 GRM2 (0.66) GRM2RAB9ASMN1; SMN2CYP3A4
SCHEMBL5562832 0.84 GRM2 (0.76) GRM2RAB9ASMN1; SMN2
SCHEMBL5557486 0.83 GRM2 (0.78) GRM2RAB9ASMN1; SMN2CYP3A4
SCHEMBL5558925 0.82 GRM2 (0.80) GRM2RAB9ASMN1; SMN2CYP3A4
SCHEMBL5557133 0.80 GRM2 (0.79) GRM2RAB9ASMN1; SMN2CYP3A4
SCHEMBL5556984 0.78 GRM2 (0.67) GRM2RAB9ASMN1; SMN2CYP3A4

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-6949542-B2 Dihydro-benzo[b][1,4]diazepin-2-one derivatives HOFFMAN-LA ROCHE INC. (US) 2005-09-27 US disclosed
US-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG (CH) 2003-09-04 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-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives CYP1B1, GRIN2B, CYP4B1 GRM2 140/4885RAB9A 2759/4885SMN1; SMN2 538/4885

“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.