SCHEMBL10136766

SCHEMBL10136766

Cc1ncc(C(=O)O)c(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.43
CA1 P00915 1/20 0.43
GLRA3 O75311 1/20 0.41
GLRB P48167 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS1 P23219 3/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
TYR P14679 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGS2 P35354 2/20 0.38
LMNA P02545 1/20 0.36
RECQL P46063 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
SCHEMBL723478 0.85 CA2 (0.40) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL10136751 0.85 CA2 (0.40) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL721937 0.84 PTGS1 (0.40) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL724696 0.82 NR5A2 (0.39) CA2CA1PTGS1PTGS2LMNA
SCHEMBL1966659 0.77 KMO (0.43) SMN1; SMN2LMNA
SCHEMBL10136783 0.76 GLRA3 (0.50) CA2CA1GLRA3GLRBCYP1A2
SCHEMBL18060588 0.75 CA2 (0.37) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL400143 0.74 NTRK1 (0.60) CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL18060590 0.74 CA1 (0.36) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL1971175 0.73 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2LMNA

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
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
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 2949/4885GLRA3 3590/4885
US-20150087665-A1 Pyrimidine carboxamide derivatives NOD1, IL1B, IRAK1 CA2 2402/4885CA1 2949/4885GLRA3 3590/4885

“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.