SCHEMBL6005845

SCHEMBL6005845

O=C1Nc2ccccc2C(c2ccccc2)=NC1NC(=O)[C@H](c1ccc(F)cc1)[C@@H](O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 15/20 0.61
CCKAR P32238 10/20 0.59
NOTCH1 P46531 3/20 0.47
NOTCH3 Q9UM47 2/20 0.47
RBPJ Q06330 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
SCHEMBL6005603 0.90 CCKBR (0.61) CCKBRCCKARNOTCH1NOTCH3RBPJ
SCHEMBL7095785 0.89 CCKBR (0.58) CCKBRCCKARNOTCH1NOTCH3RBPJ
SCHEMBL6005565 0.88 CCKBR (0.46) CCKBRCCKARNOTCH1NOTCH3
SCHEMBL6003911 0.87 CCKBR (0.45) CCKBRCCKAR
SCHEMBL6005834 0.87 CCKBR (0.45) CCKBRCCKAR
SCHEMBL6005032 0.86 CCKBR (0.65) CCKBRCCKAR
SCHEMBL6005708 0.85 CCKBR (0.43) CCKBRCCKAR
SCHEMBL6005343 0.82 NOTCH1 (0.61) CCKBRCCKARNOTCH1NOTCH3
SCHEMBL6005168 0.82 NOTCH1 (0.61) CCKBRCCKARNOTCH1NOTCH3
SCHEMBL6003854 0.80 OXTR (0.54) CCKBRNOTCH1NOTCH3

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-7105509-B2 Benzodiazepine derivatives as APP modulators MERCK SHARP & DOHME LIMITED (GB) 2006-09-12 US disclosed
US-20040082572-A1 Benzodiazepine derivatives as app modulators MERCK SHARPE & DOHME LIMITED (GB) 2004-04-29 US disclosed
EP-1294702-A1 BENZODIAZEPINE DERIVATIVES AS APP MODULATORS MERCK SHARP & DOHME LTD. (GB) 2003-03-26 EP disclosed
WO-2001090084-A1 BENZODIAZEPINE DERIVATIVES AS APP MODULATORS MERCK SHARP & DOHME LIMITED (GB) 2001-11-29 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-20040082572-A1 Benzodiazepine derivatives as app modulators BACE1, PSEN1, APP CCKBR 642/4885CCKAR 838/4885NOTCH1 803/4885

“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.