SCHEMBL1765303

SCHEMBL1765303

O=C1CN(C(=O)c2cc(-c3ccccc3F)n(-c3cccc(Cl)c3)n2)CN1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.43
PPP1CA P62136 1/20 0.42
KMT2A Q03164 2/20 0.40
MGLL Q99685 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MARS1 P56192 2/20 0.39
MALT1 Q9UDY8 2/20 0.39
CCKAR P32238 1/20 0.39
PTGS2 P35354 2/20 0.38
PTGS1 P23219 1/20 0.38
CHRNA7 P36544 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 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
SCHEMBL1765004 0.93 PPP1CA (0.41) NTRK1PPP1CAKMT2AMGLLKDM4E
SCHEMBL1765017 0.86 PPP1CA (0.49) NTRK1PPP1CAKMT2AMGLLSMN1; SMN2
SCHEMBL1765330 0.86 PPP1CA (0.48) NTRK1PPP1CAKMT2AMGLLSMN1; SMN2
SCHEMBL1765529 0.85 PPP1CA (0.47) PPP1CAKMT2AMGLLSMN1; SMN2MALT1
SCHEMBL1765402 0.85 PTGS2 (0.52) PPP1CAKMT2AMGLLSMN1; SMN2MALT1
SCHEMBL1765318 0.84 PPP1CA (0.47) PPP1CAKMT2AMGLLSMN1; SMN2MALT1
SCHEMBL1765351 0.84 PPP1CA (0.46) PPP1CAKMT2AMGLLSMN1; SMN2MALT1
SCHEMBL1765086 0.83 PPP1CA (0.45) NTRK1PPP1CAKMT2AMGLLSMN1; SMN2
SCHEMBL1765055 0.82 MGLL (0.54) PPP1CAKMT2AMGLLMALT1CCKAR
SCHEMBL1765378 0.81 CCKAR (0.46) PPP1CAKMT2AMGLLSMN1; SMN2MALT1

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 9 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
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 NTRK1 3615/4885PPP1CA 1664/4885KMT2A 1193/4885

“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.