SCHEMBL5873053

SCHEMBL5873053

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.37
HCRTR1 O43613 5/20 0.37
HCRTR2 O43614 5/20 0.37
PDE10A Q9Y233 1/20 0.35
PIM1 P11309 6/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 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
SCHEMBL5772393 0.92 HCRTR1 (0.38) KDM5AHCRTR1HCRTR2PDE10APIM1
SCHEMBL5772558 0.92 ADORA2A (0.39) KDM5AHCRTR1HCRTR2PDE10APIM1
SCHEMBL5872872 0.88 MKNK1 (0.45) KDM5APIM1KDM4ELMNAHTT
SCHEMBL5872880 0.87 CYP2C9 (0.43) KDM5APIM1HTT
SCHEMBL5770048 0.87 PIM1 (0.43) KDM5APIM1
SCHEMBL5795447 0.86 PIM1 (0.41) PIM1HTT
SCHEMBL5873037 0.86 CYP3A4 (0.38) KDM5AHCRTR1HCRTR2PIM1HTT
SCHEMBL5773190 0.86 HTR2C (0.45) PIM1KDM4EHTT
SCHEMBL5769674 0.85 PIM1 (0.40) KDM5AHCRTR1HCRTR2PIM1KDM4E
SCHEMBL5872940 0.85 MKNK1 (0.42) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 KDM5A 2543/4885HCRTR1 4881/4885HCRTR2 4876/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B KDM5A 2543/4885HCRTR1 4881/4885HCRTR2 4876/4885

“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.