SCHEMBL2949922

SCHEMBL2949922

CCOc1ccc(-c2nc(NCCO)c(C(=O)Nc3ccc(F)c(F)c3)c(SC)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.43
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
XDH P47989 1/20 0.38
BCL9 O00512 1/20 0.38
CTNNB1 P35222 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL2953461 0.79 MEN1 (0.46) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL1704061 0.77 LATS1 (0.43) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL2948828 0.77 RAB9A (0.42) NPC1RAB9ALMNASMN1; SMN2KMT2A
SCHEMBL2956022 0.77 MEN1 (0.46) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL2953911 0.77 GAA (0.48) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL2944730 0.76 KMT2A (0.43) NPC1RAB9ALMNASMN1; SMN2KMT2A
SCHEMBL2952980 0.75 CCNC (0.42) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL1704446 0.75 MAPK1 (0.44) RAB9ALMNAKMT2AMEN1MAPT
SCHEMBL1705388 0.74 RAB9A (0.43) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL2953189 0.74 MEN1 (0.41) ALDH1A1NPC1RAB9ALMNASMN1; SMN2

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 12 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

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 CHRNA7 615/4885ALDH1A1 2894/4885NPC1 4092/4885

“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.