SCHEMBL2945642

SCHEMBL2945642

CNc1nc(-c2ccc(S(N)(=O)=O)cc2)nc(SC)c1C(=O)Nc1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.47
CA2 P00918 12/20 0.45
CA9 Q16790 6/20 0.45
CA4 P22748 5/20 0.45
CA1 P00915 11/20 0.45
CA12 O43570 5/20 0.45
CA7 P43166 4/20 0.45
PTGS2 P35354 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 3/20 0.43
POLB P06746 3/20 0.43
KMT2A Q03164 3/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
CA14 Q9ULX7 1/20 0.43

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
SCHEMBL2949455 0.91 PTPN7 (0.54) PTPN7CA2CA9CA4CA1
SCHEMBL2948692 0.89 CA2 (0.41) CA2CA9CA4CA1CA12
SCHEMBL2945770 0.89 GAA (0.46) CA2CA9CA4CA1CA12
SCHEMBL2948823 0.86 CYP1A2 (0.47) PTGS2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2953519 0.84 CYP3A4 (0.47) CA9CA1CYP1A2CYP3A4CYP2D6
SCHEMBL2954483 0.82 LMNA (0.49) PTGS2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2953874 0.79 GAA (0.52) CA2CA9CA4CA1CA12
SCHEMBL2948781 0.79 CA2 (0.46) CA2CA9CA4CA1CA12
SCHEMBL2953434 0.78 MEN1 (0.46) CA2CA4CA1CA7PTGS2
SCHEMBL2950038 0.76 KMT2A (0.46) CYP1A2CYP2C9MEN1POLBKMT2A

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
US-7759350-B2 Pyrimidine carboxamides ORCHID RESEARCH LABORATORIES LTD. (IN) 2010-07-20 US claimed
EP-1931642-A2 NOVEL PYRIMIDINE CARBOXAMIDES Orchid Research Laboratories Limited (IN) 2008-06-18 EP claimed
US-20070072876-A1 Novel pyrimidine carboxamides ORCHID RESEARCH LABORATORIES LTD. (IN) 2007-03-29 US claimed
WO-2007031829-A2 NOVEL PYRIMIDINE CARBOXAMIDES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-03-22 WO claimed
US-7759350-B2 Pyrimidine carboxamides ORCHID RESEARCH LABORATORIES LTD. (IN) 2010-07-20 US disclosed
US-7759350-B2 Pyrimidine carboxamides ORCHID RESEARCH LABORATORIES LTD. (IN) 2010-07-20 US disclosed
US-7759350-B2 Pyrimidine carboxamides ORCHID RESEARCH LABORATORIES LTD. (IN) 2010-07-20 US disclosed
US-20070072876-A1 Novel pyrimidine carboxamides ORCHID RESEARCH LABORATORIES LTD. (IN) 2007-03-29 US disclosed
US-20070072876-A1 Novel pyrimidine carboxamides ORCHID RESEARCH LABORATORIES LTD. (IN) 2007-03-29 US disclosed
US-20070072876-A1 Novel pyrimidine carboxamides ORCHID RESEARCH LABORATORIES LTD. (IN) 2007-03-29 US disclosed
WO-2007031829-A2 NOVEL PYRIMIDINE CARBOXAMIDES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-03-22 WO 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 (1 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-20070072876-A1 Novel pyrimidine carboxamides UACA, SI, MYLK2 PTPN7 4724/4885CA2 2333/4885CA9 3276/4885

“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.