SCHEMBL723503

SCHEMBL723503

CNC(=O)c1cnc(N(C)C)nc1-c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CNR2 P34972 3/20 0.37
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
GAA P10253 2/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CNR1 P21554 2/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
DYRK1A Q13627 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
SCHEMBL27969314 0.86 HPGD (0.38) HPGDCA1CA2CNR2PTGS1
SCHEMBL723478 0.84 CA2 (0.40) CA1CA2PTGS1PTGS2GAA
SCHEMBL722566 0.82 PTGS2 (0.42) CA1CA2PTGS1PTGS2GAA
SCHEMBL724767 0.81 THRB (0.48)
SCHEMBL16583655 0.81 HPGD (0.40) HPGDALDH1A1KDM4EALOX15HSD17B10
SCHEMBL28090245 0.80 PDE4B (0.44) CA1CA2PTGS1PTGS2GAA
SCHEMBL724696 0.71 NR5A2 (0.39) CA1CA2CNR2PTGS1PTGS2
SCHEMBL721937 0.71 PTGS1 (0.40) CA1CA2CNR2PTGS1PTGS2
SCHEMBL10136766 0.69 CA2 (0.43) CA1CA2PTGS1PTGS2ALDH1A1
SCHEMBL10136751 0.69 CA2 (0.40) CA1CA2PTGS1PTGS2GAA

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-20120053346-A1 Pyrimidine Carboxamide Derivatives MAEHR HUBERT (US) 2012-03-01 US claimed
EP-2751084-B1 PYRIMIDINE CARBOXAMIDE DERIVATIVES EUDIS BIOTECH LLC (CN) 2016-09-21 EP disclosed
CN-103917526-B Pyrimidine carboxamide derivatives 南京优迪生物医药有限公司 2016-08-24 CN disclosed
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
US-8580805-B2 Pyrimidine carboxamide derivatives MAEHR HUBERT (US) 2013-11-12 US disclosed
US-20120053346-A1 Pyrimidine Carboxamide Derivatives MAEHR HUBERT (US) 2012-03-01 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 HPGD 293/4885CA1 2949/4885CA2 2402/4885
US-20150087665-A1 Pyrimidine carboxamide derivatives NOD1, IL1B, IRAK1 HPGD 293/4885CA1 2949/4885CA2 2402/4885

“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.