SCHEMBL5770048

SCHEMBL5770048

Cc1cccc2c(-c3nc(C(=O)N4CCC(O)C4)c(-c4cccnc4)s3)n[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 7/20 0.43
ADORA2B P29275 11/20 0.42
KDM5A P29375 1/20 0.41
VNN1 O95497 1/20 0.39

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
SCHEMBL5772558 0.93 ADORA2A (0.39) PIM1ADORA2BKDM5AVNN1
SCHEMBL5772822 0.90 KDM5A (0.39) PIM1KDM5A
SCHEMBL5872923 0.90 HRH4 (0.45) PIM1ADORA2BKDM5A
SCHEMBL5770207 0.90 KDM5A (0.41) PIM1ADORA2BKDM5AVNN1
SCHEMBL5768174 0.90 KDM5A (0.39) PIM1KDM5A
SCHEMBL5873046 0.89 CYP2C9 (0.43) PIM1KDM5A
SCHEMBL5769674 0.89 PIM1 (0.40) PIM1KDM5A
SCHEMBL5873097 0.88 KDM5A (0.39) PIM1ADORA2BKDM5A
SCHEMBL5873060 0.88 DYRK1A (0.40) PIM1KDM5A
SCHEMBL5872880 0.88 CYP2C9 (0.43) PIM1ADORA2BKDM5A

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 PIM1 1909/4885ADORA2B 4130/4885KDM5A 2543/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B PIM1 1909/4885ADORA2B 4130/4885KDM5A 2543/4885

“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.