SCHEMBL2948692

SCHEMBL2948692

CNc1nc(-c2ccc(S(N)(=O)=O)cc2)nc(SC)c1C(=O)Nc1ccc(C)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.41
CA1 P00915 9/20 0.41
CA7 P43166 4/20 0.41
CA4 P22748 3/20 0.41
CA9 Q16790 3/20 0.40
CA12 O43570 3/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
POLB P06746 3/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PTBP1 P26599 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 3/20 0.39
CACNA1B Q00975 2/20 0.39
APBA1 Q02410 2/20 0.39
PSMD14 O00487 1/20 0.39
RECQL P46063 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
SAE1 Q9UBE0 1/20 0.39

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
SCHEMBL2948781 0.91 CA2 (0.46) CA2CA1CA7CA4CA9
SCHEMBL2945642 0.89 PTPN7 (0.47) CA2CA1CA7CA4CA9
SCHEMBL2945524 0.87 KMT2A (0.43) MEN1KMT2APOLBLMNAMAPT
SCHEMBL2944090 0.85 CCNC (0.46) MEN1KMT2APOLBLMNAALDH1A1
SCHEMBL2945770 0.85 GAA (0.46) CA2CA1CA7CA4CA9
SCHEMBL2949455 0.80 PTPN7 (0.54) CA2CA1CA7CA4CA9
SCHEMBL2945099 0.79 ALDH1A1 (0.42) MEN1KMT2APOLBLMNAALDH1A1
SCHEMBL2954483 0.77 LMNA (0.49) MEN1KMT2APOLBLMNAALDH1A1
SCHEMBL2948828 0.76 RAB9A (0.42) MEN1KMT2APOLBLMNAMAPT
SCHEMBL2949931 0.75 RAB9A (0.50) KMT2AALDH1A1MAPTNPC1RAB9A

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 13 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
EP-1931642-A2 NOVEL PYRIMIDINE CARBOXAMIDES Orchid Research Laboratories Limited (IN) 2008-06-18 EP 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
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 CA2 2333/4885CA1 1455/4885CA7 3410/4885

“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.