SCHEMBL5773249

SCHEMBL5773249

Cc1cccc2c(-c3nc(C(=O)N4CCC(O)C4)c(-c4cc(F)cc(F)c4)s3)n[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.42
HCRTR2 O43614 13/20 0.42
ADORA2B P29275 5/20 0.42
ADORA2A P29274 4/20 0.42
ADORA3 P0DMS8 1/20 0.39
HTR2C P28335 1/20 0.36

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
SCHEMBL5768252 0.93 HCRTR1 (0.43) HCRTR1HCRTR2ADORA2BADORA2AADORA3
SCHEMBL5773158 0.90 HCRTR1 (0.43) HCRTR1HCRTR2ADORA2BADORA2AADORA3
SCHEMBL5770792 0.86 HRH4 (0.42) HCRTR1HCRTR2HTR2C
SCHEMBL5770048 0.86 PIM1 (0.43) ADORA2B
SCHEMBL5772865 0.85 ADORA2B (0.38) HCRTR1HCRTR2ADORA2BADORA2AHTR2C
SCHEMBL5769639 0.82 ATR (0.43) HCRTR1HCRTR2
SCHEMBL5873002 0.81 ACVR1 (0.34) HCRTR1HCRTR2ADORA2BADORA2A
SCHEMBL5774199 0.81 CNR2 (0.38) HCRTR1HCRTR2HTR2C
SCHEMBL5771568 0.81 MAP4K4 (0.42) HCRTR1HCRTR2ADORA2BHTR2C
SCHEMBL5772558 0.79 ADORA2A (0.39) HCRTR1HCRTR2ADORA2BADORA2A

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 4876/4885ADORA2B 4130/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B HCRTR1 4881/4885HCRTR2 4876/4885ADORA2B 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.