SCHEMBL5564129

SCHEMBL5564129

CNc1cc(-c2cccc(C(=O)OC)c2)ncn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
TP53 P04637 2/20 0.53
LMNA P02545 1/20 0.53
THRB P10828 1/20 0.53
ABL1 P00519 4/20 0.52
BCR P11274 3/20 0.52
ADORA3 P0DMS8 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 2/20 0.48
CDK8 P49336 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
ERN1 O75460 1/20 0.45
NEK1 Q96PY6 2/20 0.45

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
SCHEMBL23221307 0.84 ABL1 (0.58) MAPTTP53LMNATHRBABL1
SCHEMBL5606875 0.83 GABRG2 (0.51) MAPTTP53LMNATHRBABL1
SCHEMBL5564155 0.82 CYP1A2 (0.55) MAPTTP53LMNATHRBABL1
SCHEMBL27615867 0.81 TP53 (0.48) MAPTTP53LMNATHRBABL1
SCHEMBL23221377 0.78 CYP1A2 (0.66) TP53LMNATHRBADORA3MAPK1
SCHEMBL5557563 0.78 ABL1 (0.45) MAPTTP53LMNATHRBABL1
SCHEMBL4264588 0.77 ABL1 (0.53) ABL1BCRGABRG2GABRB3GABRA5
SCHEMBL67941 0.77 CA12 (0.68) GABRG2GABRB3GABRA5GABRA3CDK8
SCHEMBL20816281 0.75 CYP1A2 (0.62) MAPTTP53ADORA3KDM4EMAPK1
SCHEMBL23221374 0.75 MAP4K4 (0.51) TP53LMNATHRBABL1BCR

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 MAPT 1336/4885TP53 4642/4885LMNA 2415/4885

“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.