SCHEMBL5772393

SCHEMBL5772393

Cc1cccc2c(-c3nc(C(=O)N4CC(C)CC(C)C4)c(-c4cccnc4)s3)n[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.38
HCRTR2 O43614 5/20 0.38
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE10A Q9Y233 1/20 0.35
GAA P10253 1/20 0.35
KDM5A P29375 1/20 0.35
GRM4 Q14833 1/20 0.35
PIM1 P11309 3/20 0.34
ATAD2 Q6PL18 1/20 0.34
SMO Q99835 1/20 0.34

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
SCHEMBL5873053 0.92 KDM5A (0.37) HCRTR1HCRTR2KDM4ELMNAHTT
SCHEMBL5772558 0.92 ADORA2A (0.39) HCRTR1HCRTR2KDM4ELMNAHTT
SCHEMBL5872880 0.87 CYP2C9 (0.43) HTTKDM5APIM1
SCHEMBL5770048 0.87 PIM1 (0.43) KDM5APIM1
SCHEMBL5795447 0.86 PIM1 (0.41) HTTPIM1
SCHEMBL5872872 0.86 MKNK1 (0.45) KDM4ELMNAHTTKDM5APIM1
SCHEMBL5873037 0.86 CYP3A4 (0.38) HCRTR1HCRTR2HTTKDM5AGRM4
SCHEMBL5773190 0.86 HTR2C (0.45) KDM4EHTTMEN1KMT2AGAA
SCHEMBL5769674 0.85 PIM1 (0.40) HCRTR1HCRTR2KDM4ELMNAHTT
SCHEMBL5772822 0.85 KDM5A (0.39) KDM5APIM1

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-1664040-A1 GYRASE INHIBITORS PFIZER INC. (US) 2006-06-07 EP disclosed
US-6984652-B2 Gyrase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2006-01-10 US disclosed
US-20050250823-A1 Gyrase inhibitors YAGER KRAIG 2005-11-10 US disclosed
WO-2005026162-A1 GYRASE INHIBITORS PFIZER INC. (US) 2005-03-24 WO disclosed
US-20050054697-A1 Gyrase inhibitors PFIZER INC. 2005-03-10 US 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 (2 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-20050054697-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B HCRTR1 4881/4885HCRTR2 4876/4885KDM4E 2869/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B HCRTR1 4881/4885HCRTR2 4876/4885KDM4E 2869/4885

“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.