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Sugi Predict / Compounds / SCHEMBL1764936

SCHEMBL1764936

SCHEMBL1764936

COc1cc(F)cc(-c2cc(C(=O)N3CNC(=O)C3)nn2-c2ccc(F)c(Cl)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RPA1 P27694 4/20 0.44
▸ CCKAR P32238 1/20 0.43
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MALT1 Q9UDY8 3/20 0.40
▸ MARS1 P56192 1/20 0.39
▸ PTGS2 P35354 4/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ SLC5A1 P13866 1/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ ATM Q13315 1/20 0.37

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
SCHEMBL1764979 0.91 CCKAR (0.51) RPA1CCKARMALT1PTGS2MGLL
SCHEMBL12597297 0.90 MEN1 (0.40) RPA1CCKARMEN1KMT2AMAPT
SCHEMBL1765417 0.90 CCKAR (0.55) RPA1CCKARMEN1KMT2AMAPT
SCHEMBL1526038 0.90 MEN1 (0.45) RPA1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL29397883 0.90 MEN1 (0.45) RPA1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL1764879 0.90 MEN1 (0.40) RPA1CCKARMEN1KMT2AMAPT
SCHEMBL15004300 0.89 RPA1 (0.45) RPA1CCKARMEN1KMT2AMAPT
SCHEMBL1764920 0.89 MEN1 (0.43) RPA1CCKARMEN1KMT2AMAPT
SCHEMBL1765424 0.88 MEN1 (0.44) RPA1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL1765001 0.86 KCNH2 (0.43) CCKARMEN1KMT2AMAPTSMN1; SMN2

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 7 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
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 RPA1 3978/4885CCKAR 4827/4885MEN1 2360/4885

“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.