SCHEMBL10048708

SCHEMBL10048708

CC(Nc1c(-c2ccccc2)nc2cnccn12)C(=O)N1CCN(C2c3ccccc3CCc3ccccc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.43
GAA P10253 3/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 4/20 0.41
TLR9 Q9NR96 2/20 0.41
BRD4 O60885 2/20 0.41
CDK9 P50750 1/20 0.39
APAF1 O14727 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
GFER P55789 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
SYK P43405 1/20 0.38
ALOX5 P09917 1/20 0.37

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
SCHEMBL14963735 0.94 KDM4E (0.45) BRAFGAAKDM4ELMNAMAPK1
SCHEMBL10048883 0.92 GAA (0.47) BRAFGAAKDM4ELMNAMAPK1
SCHEMBL14963762 0.92 GAA (0.46) BRAFGAAKDM4ELMNAMAPK1
SCHEMBL14963777 0.90 ATM (0.40) BRAFGAAKDM4ELMNAATM
SCHEMBL10048705 0.85 GAA (0.49) BRAFGAAKDM4ELMNAMAPK1
SCHEMBL10048758 0.84 KDM4E (0.39) BRAFGAAKDM4ELMNAMAPK1
SCHEMBL10048601 0.84 CDK9 (0.46) BRAFGAAKDM4ELMNAMAPK1
SCHEMBL10048683 0.82 GAA (0.48) BRAFGAAKDM4ELMNAMAPK1
SCHEMBL10048709 0.82 BRD4 (0.50) BRAFGAAKDM4ELMNAMAPK1
SCHEMBL10048658 0.82 GAA (0.47) BRAFGAAKDM4ELMNAMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131073-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MERCK SHARP & DOHME CORP. 2013-05-23 US disclosed
US-20130131073-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MERCK SHARP & DOHME CORP. 2013-05-23 US disclosed
WO-2012018665-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS SCHERING CORPORATION (US) 2012-02-09 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-20130131073-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MRPL21, ARG1, RPS4Y1 BRAF 1554/4885GAA 1859/4885KDM4E 4027/4885

“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.