SCHEMBL5563340

SCHEMBL5563340

COC(=O)c1cccc(-c2ccnnc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.63
GABRB3 P28472 1/20 0.63
GABRA5 P31644 1/20 0.63
GABRA3 P34903 1/20 0.63
CYP19A1 P11511 1/20 0.57
CYP11B1 P15538 1/20 0.57
CYP11B2 P19099 1/20 0.57
CDK8 P49336 1/20 0.54
NEK1 Q96PY6 4/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
ERN1 O75460 3/20 0.51
PLAU P00749 2/20 0.51
KAT6A Q92794 1/20 0.49
ALDH1A1 P00352 1/20 0.49
AXL P30530 1/20 0.47
RAB9A P51151 1/20 0.47
SLC2A1 P11166 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
SCHEMBL67941 0.83 CA12 (0.68) GABRG2GABRB3GABRA5GABRA3CDK8
SCHEMBL1399775 0.83 CYP19A1 (0.74) GABRG2GABRB3GABRA5GABRA3CYP19A1
SCHEMBL3413155 0.83 NEK1 (0.63) GABRG2GABRB3GABRA5GABRA3CYP19A1
SCHEMBL27715902 0.82 CA12 (0.71) GABRG2GABRB3GABRA5GABRA3CDK8
SCHEMBL5562685 0.81 KMO (0.68) ERN1KAT6AAXL
SCHEMBL5562183 0.79 CDK8 (0.54) GABRG2GABRB3GABRA5GABRA3CDK8
SCHEMBL29410906 0.79 TSHR (0.67) GABRG2GABRB3GABRA5GABRA3CDK8
SCHEMBL1221576 0.79 TSHR (0.67) GABRG2GABRB3GABRA5GABRA3CDK8
SCHEMBL9949738 0.78 GABRG2 (0.70) GABRG2GABRB3GABRA5GABRA3CDK8
SCHEMBL9950343 0.78 GABRG2 (0.70) GABRG2GABRB3GABRA5GABRA3CYP19A1

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
EP-1474416-B1 DIHYDROBENZODIAZEPIN-2-ONE-DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2007-09-26 EP disclosed
US-6949542-B2 Dihydro-benzo[b][1,4]diazepin-2-one derivatives HOFFMAN-LA ROCHE INC. (US) 2005-09-27 US disclosed
EP-1474416-A1 DIHYDROBENZODIAZEPIN-2-ONE-DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 EP disclosed
US-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG (CH) 2003-09-04 US disclosed
WO-2003066623-A1 DIHYDROBENZODIAZEPIN-2-ONE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 WO 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 GABRG2 268/4885GABRB3 27/4885GABRA5 89/4885

“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.