SCHEMBL721937

SCHEMBL721937

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.40
PTGS2 P35354 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
CNR2 P34972 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL10136766 0.84 CA2 (0.43) PTGS1PTGS2CA1CA2LMNA
SCHEMBL723478 0.81 CA2 (0.40) PTGS1PTGS2CA1CA2CYP1A2
SCHEMBL10136751 0.81 CA2 (0.40) PTGS1PTGS2CA1CA2CYP1A2
SCHEMBL18060590 0.80 CA1 (0.36) PTGS1PTGS2CA1CA2CNR2
SCHEMBL16583628 0.80 MEN1 (0.34) PTGS1PTGS2MEN1KMT2A
SCHEMBL724696 0.78 NR5A2 (0.39) PTGS1PTGS2CA1CA2LMNA
SCHEMBL18060588 0.71 CA2 (0.37) PTGS1PTGS2CA1CA2CYP1A2
SCHEMBL723503 0.71 HPGD (0.38) PTGS1PTGS2CA1CA2LMNA
SCHEMBL27969314 0.71 HPGD (0.38) PTGS1PTGS2CA1CA2LMNA
SCHEMBL18060596 0.68 PTGS1 (0.36) PTGS1PTGS2CA1CA2LMNA

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 6 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
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
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 PTGS1 22/4885PTGS2 155/4885CA1 2949/4885
US-20150087665-A1 Pyrimidine carboxamide derivatives NOD1, IL1B, IRAK1 PTGS1 22/4885PTGS2 155/4885CA1 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.