SCHEMBL722566

SCHEMBL722566

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.42
PTGS1 P23219 5/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
HPGDS O60760 3/20 0.38
GAA P10253 2/20 0.38
PDE4B Q07343 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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 0.85 CA2 (0.40) PTGS2PTGS1CA1CA2GAA
SCHEMBL724767 0.82 THRB (0.48) PDE4B
SCHEMBL723503 0.82 HPGD (0.38) PTGS2PTGS1CA1CA2GAA
SCHEMBL16583591 0.81 HPGDS (0.36) HPGDSPDE4BDYRK1ADYRK1B
SCHEMBL28090245 0.81 PDE4B (0.44) PTGS2PTGS1CA1CA2GAA
SCHEMBL18060589 0.81 PTGS2 (0.41) PTGS2PTGS1CA1CA2GAA
SCHEMBL10136751 0.75 CA2 (0.40) PTGS2PTGS1CA1CA2GAA
SCHEMBL27969314 0.72 HPGD (0.38) PTGS2PTGS1CA1CA2GAA
SCHEMBL724696 0.72 NR5A2 (0.39) PTGS2PTGS1CA1CA2GAA
SCHEMBL723064 0.71 CA2 (0.41) PTGS2PTGS1CA1CA2GAA

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 11 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
CN-103917526-B Pyrimidine carboxamide derivatives 南京优迪生物医药有限公司 2016-08-24 CN claimed
US-20150087665-A1 Pyrimidine carboxamide derivatives Maehr, Hubert (US) 2015-03-26 US claimed
US-8580805-B2 Pyrimidine carboxamide derivatives MAEHR HUBERT (US) 2013-11-12 US claimed
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 PTGS2 155/4885PTGS1 22/4885CA1 2949/4885
US-20150087665-A1 Pyrimidine carboxamide derivatives NOD1, IL1B, IRAK1 PTGS2 155/4885PTGS1 22/4885CA1 2949/4885

“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.