SCHEMBL1764979

SCHEMBL1764979

COc1cc(F)cc(-c2cc(C(=O)N3CNC(=O)C3)nn2-c2cccc(Cl)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 1/20 0.51
SLC16A3 O15427 2/20 0.45
SLC16A1 P53985 2/20 0.45
PPP1CA P62136 1/20 0.42
MCTS1 Q9ULC4 1/20 0.41
SLC5A1 P13866 5/20 0.40
PTGS2 P35354 4/20 0.40
NSD2 O96028 1/20 0.40
NSD1 Q96L73 1/20 0.40
NSD3 Q9BZ95 1/20 0.40
LPAR5 Q9H1C0 1/20 0.40
HPSE Q9Y251 1/20 0.40
RPA1 P27694 2/20 0.40
MALT1 Q9UDY8 2/20 0.39
PTGS1 P23219 1/20 0.38
MGLL Q99685 2/20 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
SCHEMBL1765529 0.91 PPP1CA (0.47) CCKARPPP1CASLC5A1PTGS2MALT1
SCHEMBL1764936 0.91 RPA1 (0.44) CCKARSLC5A1PTGS2RPA1MALT1
SCHEMBL1765517 0.90 CCKAR (0.63) CCKARSLC16A3SLC16A1PPP1CAMCTS1
SCHEMBL1765351 0.89 PPP1CA (0.46) CCKARPPP1CASLC5A1PTGS2MALT1
SCHEMBL1765378 0.89 CCKAR (0.46) CCKARPPP1CASLC5A1PTGS2RPA1
SCHEMBL1765260 0.86 CCKAR (0.50) CCKARSLC5A1PTGS2NSD2NSD1
SCHEMBL1765049 0.85 SLC5A1 (0.44) CCKARPPP1CASLC5A1PTGS2MALT1
SCHEMBL1764968 0.85 KDM1A (0.44) CCKARPPP1CASLC5A1PTGS2RPA1
SCHEMBL1765417 0.84 CCKAR (0.55) CCKARSLC16A3SLC16A1MCTS1SLC5A1
SCHEMBL1765402 0.84 PTGS2 (0.52) CCKARPPP1CASLC5A1PTGS2MALT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399682-B2 Substituted (pyrazolylcarbonyl)imidazolidinones and their use AICURIS GMBH & CO. KG (DE) 2013-03-19 US disclosed
US-8399682-B2 Substituted (pyrazolylcarbonyl)imidazolidinones and their use AICURIS GMBH & CO. KG (DE) 2013-03-19 US disclosed
US-8399682-B2 Substituted (pyrazolylcarbonyl)imidazolidinones and their use AICURIS GMBH & CO. KG (DE) 2013-03-19 US disclosed
US-20110124618-A1 SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE AICURIS GMBH & CO. KG (DE) 2011-05-26 US disclosed
US-20110124618-A1 SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE AICURIS GMBH & CO. KG (DE) 2011-05-26 US disclosed
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 CCKAR 4827/4885SLC16A3 2453/4885SLC16A1 2093/4885

“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.