SCHEMBL1764968

SCHEMBL1764968

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.44
PGR P06401 1/20 0.43
PPP1CA P62136 1/20 0.42
CCKAR P32238 1/20 0.40
PTGS2 P35354 4/20 0.40
PTGS1 P23219 1/20 0.40
SLC5A1 P13866 2/20 0.39
MALT1 Q9UDY8 1/20 0.39
RPA1 P27694 1/20 0.38
MGLL Q99685 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
SCHEMBL1765030 0.93 KDM1A (0.45) KDM1APTGS2MGLL
SCHEMBL1765529 0.91 PPP1CA (0.47) PPP1CACCKARPTGS2PTGS1SLC5A1
SCHEMBL12597373 0.91 KDM1A (0.43) KDM1APPP1CACCKARPTGS2PTGS1
SCHEMBL1765442 0.91 KDM1A (0.45) KDM1APPP1CAMALT1RPA1
SCHEMBL1765351 0.89 PPP1CA (0.46) PPP1CACCKARPTGS2PTGS1SLC5A1
SCHEMBL1765513 0.88 KDM1A (0.47) KDM1A
SCHEMBL1765271 0.88 PTGS2 (0.46) KDM1APPP1CACCKARPTGS2PTGS1
SCHEMBL1765378 0.87 CCKAR (0.46) PPP1CACCKARPTGS2PTGS1SLC5A1
SCHEMBL1765049 0.85 SLC5A1 (0.44) PPP1CACCKARPTGS2PTGS1SLC5A1
SCHEMBL1765402 0.85 PTGS2 (0.52) PPP1CACCKARPTGS2PTGS1SLC5A1

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
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
EP-2254885-A1 (PYRAZOLYL CARBONYL)IMIDAZOLIDINONE DERIVATIVES FOR THE TREATMENT OF RETROVIRAL DISEASES AiCuris GmbH & Co. KG (DE) 2010-12-01 EP disclosed
WO-2009115213-A1 (PYRAZOLYL CARBONYL)IMIDAZOLIDINONE DERIVATIVES FOR THE TREATMENT OF RETROVIRAL DISEASES AICURIS GMBH & CO. KG (DE) 2009-09-24 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 (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 KDM1A 862/4885PGR 907/4885PPP1CA 1664/4885

“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.