SCHEMBL10136751

SCHEMBL10136751

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.40
CA1 P00915 2/20 0.40
PTGS2 P35354 5/20 0.39
PTGS1 P23219 5/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
TYR P14679 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL10136766 0.85 CA2 (0.43) CA2CA1PTGS2PTGS1CYP1A2
SCHEMBL723478 0.85 CA2 (0.40) CA2CA1PTGS2PTGS1CYP1A2
SCHEMBL27969314 0.84 HPGD (0.38) CA2CA1PTGS2PTGS1ALDH1A1
SCHEMBL724696 0.81 NR5A2 (0.39) CA2CA1PTGS2PTGS1GAA
SCHEMBL721937 0.81 PTGS1 (0.40) CA2CA1PTGS2PTGS1CYP1A2
SCHEMBL10136781 0.78 CA2 (0.41) CA2CA1PTGS2PTGS1CYP1A2
SCHEMBL18060588 0.77 CA2 (0.37) CA2CA1PTGS2PTGS1CYP1A2
SCHEMBL18060590 0.76 CA1 (0.36) CA2CA1PTGS2PTGS1CYP1A2
SCHEMBL1015675 0.75 NTRK1 (0.58) ALDH1A1TDP1SMN1; SMN2
SCHEMBL722566 0.75 PTGS2 (0.42) CA2CA1PTGS2PTGS1ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103917526-A Pyrimidine carboxamide derivatives APAC PHARMACEUTICAL LLC 2014-07-09 CN claimed
US-9249107-B2 Pyrimidine carboxamide derivatives MAEHR HUBERT (US) 2016-02-02 US 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-20150087665-A1 Pyrimidine carboxamide derivatives Maehr, Hubert (US) 2015-03-26 US disclosed
CN-103917526-A Pyrimidine carboxamide derivatives APAC PHARMACEUTICAL LLC 2014-07-09 CN disclosed
US-8580805-B2 Pyrimidine carboxamide derivatives MAEHR HUBERT (US) 2013-11-12 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
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 CA2 2402/4885CA1 2949/4885PTGS2 155/4885
US-20150087665-A1 Pyrimidine carboxamide derivatives NOD1, IL1B, IRAK1 CA2 2402/4885CA1 2949/4885PTGS2 155/4885

“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.