SCHEMBL5772558

SCHEMBL5772558

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.39
PIM1 P11309 7/20 0.38
ADORA2B P29275 3/20 0.38
PDE10A Q9Y233 1/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
KDM5A P29375 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
VNN1 O95497 1/20 0.35
ATAD2 Q6PL18 1/20 0.35

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
SCHEMBL5770048 0.93 PIM1 (0.43) PIM1ADORA2BKDM5AVNN1
SCHEMBL5772393 0.92 HCRTR1 (0.38) PIM1PDE10AHCRTR1HCRTR2KDM5A
SCHEMBL5873053 0.92 KDM5A (0.37) PIM1PDE10AHCRTR1HCRTR2KDM5A
SCHEMBL5873094 0.89 ADORA2A (0.37) ADORA2APIM1ADORA2BPDE10AHCRTR1
SCHEMBL5872880 0.89 CYP2C9 (0.43) ADORA2APIM1ADORA2BKDM5AHTT
SCHEMBL5795447 0.88 PIM1 (0.41) PIM1HTT
SCHEMBL5872872 0.88 MKNK1 (0.45) PIM1KDM5AKDM4ELMNAHTT
SCHEMBL5873037 0.87 CYP3A4 (0.38) PIM1HCRTR1HCRTR2KDM5AHTT
SCHEMBL5773190 0.87 HTR2C (0.45) PIM1KDM4EHTT
SCHEMBL5769674 0.87 PIM1 (0.40) PIM1HCRTR1HCRTR2KDM5AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581797-A4 METHODS FOR THE DETECTION, ANALYSIS AND ISOLATION OF NASCENT PROTEINS AMBERGEN INC (US) 2006-08-16 EP disclosed
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
EP-1581797-A2 METHODS FOR THE DETECTION, ANALYSIS AND ISOLATION OF NASCENT PROTEINS Ambergen, Inc. (US) 2005-10-05 EP 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
WO-2004063714-A2 METHODS FOR THE DETECTION, ANALYSIS AND ISOLATION OF NASCENT PROTEINS AMBERGEN, INC. (US) 2004-07-29 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 (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 ADORA2A 4569/4885PIM1 1909/4885ADORA2B 4130/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B ADORA2A 4569/4885PIM1 1909/4885ADORA2B 4130/4885

“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.