SCHEMBL10048698

SCHEMBL10048698

O=C(CNc1c(-c2ccccc2)nc2cnccn12)N1CCN(CC(=O)N2CCCCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 1/20 0.48
PTGS2 P35354 2/20 0.47
GAA P10253 5/20 0.47
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
CASP1 P29466 2/20 0.47
CASP7 P55210 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 1/20 0.47
BRAF P15056 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
BRD4 O60885 3/20 0.42
ATM Q13315 3/20 0.42
TLR9 Q9NR96 2/20 0.42
ALOX5 P09917 2/20 0.42
MAPT P10636 1/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL14963798 0.91 GAA (0.58) CDK9GAAKDM4EALDH1A1HPGD
SCHEMBL10048671 0.90 ALOX5 (0.51) CDK9GAAKDM4EALDH1A1HPGD
SCHEMBL10049151 0.89 GAA (0.47) CDK9GAAKDM4EALDH1A1HPGD
SCHEMBL10048867 0.88 GAA (0.47) CDK9GAAKDM4EALDH1A1HPGD
SCHEMBL10048638 0.88 GAA (0.46) CDK9GAAKDM4EALDH1A1HPGD
SCHEMBL14963681 0.88 GAA (0.42) CDK9PTGS2GAAKDM4EALDH1A1
SCHEMBL14963863 0.87 KDM4E (0.47) PTGS2GAAKDM4EALDH1A1HPGD
SCHEMBL10048697 0.86 CDK9 (0.53) CDK9PTGS2GAAKDM4EALDH1A1
SCHEMBL10048722 0.86 PTGS2 (0.54) CDK9PTGS2GAAKDM4EALDH1A1
SCHEMBL10048726 0.85 CDK9 (0.48) CDK9PTGS2GAAKDM4EALDH1A1

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 CDK9 2543/4885PTGS2 2041/4885GAA 1859/4885

“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.