SCHEMBL724696

SCHEMBL724696

CCNC(=O)c1cnc(C)nc1-c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR5A2 O00482 1/20 0.39
NR5A1 Q13285 1/20 0.39
CSNK1D P48730 2/20 0.38
CNR1 P21554 1/20 0.38
LMNA P02545 1/20 0.37
RECQL P46063 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
PTGS1 P23219 5/20 0.36
PTGS2 P35354 3/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX5AP P20292 1/20 0.35
CNR2 P34972 1/20 0.34

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
SCHEMBL723478 0.86 CA2 (0.40) CA1CA2PTGS1PTGS2GAA
SCHEMBL10136766 0.82 CA2 (0.43) LMNARECQLCA1CA2PTGS1
SCHEMBL10136751 0.81 CA2 (0.40) CA1CA2PTGS1PTGS2GAA
SCHEMBL16583675 0.81 CSNK1D (0.37) NR5A2NR5A1CSNK1DCNR1LMNA
SCHEMBL18060596 0.81 PTGS1 (0.36) LMNARECQLCA1CA2PTGS1
SCHEMBL721937 0.78 PTGS1 (0.40) LMNARECQLCA1CA2PTGS1
SCHEMBL11632170 0.73 PTGS1 (0.56) NR5A2NR5A1LMNARECQLCA1
SCHEMBL722566 0.72 PTGS2 (0.42) CA1CA2PTGS1PTGS2GAA
SCHEMBL723503 0.71 HPGD (0.38) CNR1LMNARECQLCA1CA2
SCHEMBL724767 0.71 THRB (0.48)

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
EP-2751084-B1 PYRIMIDINE CARBOXAMIDE DERIVATIVES EUDIS BIOTECH LLC (CN) 2016-09-21 EP claimed
US-20150087665-A1 Pyrimidine carboxamide derivatives Maehr, Hubert (US) 2015-03-26 US claimed
EP-2751084-A1 PYRIMIDINE CARBOXAMIDE DERIVATIVES Apac Pharmaceutical LLC. (US) 2014-07-09 EP claimed
US-8580805-B2 Pyrimidine carboxamide derivatives MAEHR HUBERT (US) 2013-11-12 US claimed
WO-2013032522-A1 PYRIMIDINE CARBOXAMIDE DERIVATIVES APAC PHARMACEUTICAL LLC. (US) 2013-03-07 WO claimed
US-20120053346-A1 Pyrimidine Carboxamide Derivatives MAEHR HUBERT (US) 2012-03-01 US claimed
US-9249107-B2 Pyrimidine carboxamide derivatives MAEHR HUBERT (US) 2016-02-02 US disclosed
US-20150087665-A1 Pyrimidine carboxamide derivatives Maehr, Hubert (US) 2015-03-26 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 (2 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-20120053346-A1 Pyrimidine Carboxamide Derivatives NOD1, IL1B, IRAK1 NR5A2 1302/4885NR5A1 778/4885CSNK1D 1236/4885
US-20150087665-A1 Pyrimidine carboxamide derivatives NOD1, IL1B, IRAK1 NR5A2 1302/4885NR5A1 778/4885CSNK1D 1236/4885

“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.