SCHEMBL12649166

SCHEMBL12649166

Cc1cc(F)cc(-c2cc(C(=O)N3CNC(=O)C3)nn2-c2cccc(C)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 3/20 0.47
SLC5A1 P13866 5/20 0.39
PTGS2 P35354 2/20 0.39
MGLL Q99685 8/20 0.39
CCKAR P32238 1/20 0.38

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
SCHEMBL1765378 0.93 CCKAR (0.46) RPA1SLC5A1PTGS2MGLLCCKAR
SCHEMBL14780898 0.90 MGLL (0.40) RPA1SLC5A1PTGS2MGLLCCKAR
SCHEMBL12649024 0.88 MALT1 (0.39) PTGS2MGLLCCKAR
SCHEMBL1764920 0.86 MEN1 (0.43) RPA1PTGS2CCKAR
SCHEMBL1765529 0.86 PPP1CA (0.47) SLC5A1PTGS2MGLLCCKAR
SCHEMBL14780904 0.84 MALT1 (0.36) PTGS2MGLLCCKAR
SCHEMBL1765351 0.84 PPP1CA (0.46) SLC5A1PTGS2MGLLCCKAR
SCHEMBL1764979 0.81 CCKAR (0.51) RPA1SLC5A1PTGS2MGLLCCKAR
SCHEMBL1765030 0.81 KDM1A (0.45) PTGS2MGLL
SCHEMBL1765260 0.81 CCKAR (0.50) RPA1SLC5A1PTGS2CCKAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124618-A1 SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE AICURIS GMBH & CO. KG (DE) 2011-05-26 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 (1 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-20110124618-A1 SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE TPMT, PAICS, THPO RPA1 3978/4885SLC5A1 2409/4885PTGS2 3497/4885

“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.