SCHEMBL2199593

SCHEMBL2199593

Cc1ccc(C#N)cc1C(=O)c1ccc(N)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
MAPK13 O15264 6/20 0.40
MAPK12 P53778 6/20 0.40
MAPK11 Q15759 6/20 0.40
MAPK14 Q16539 6/20 0.40
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
JAK2 O60674 1/20 0.37
TYK2 P29597 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37
MAOA P21397 1/20 0.37
HTR2C P28335 1/20 0.37
CHRNA4 P43681 1/20 0.37
HTR3A P46098 1/20 0.37
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
PDK1 Q15118 1/20 0.36
PDK2 Q15119 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
SCHEMBL5174489 0.81 CYP3A4 (0.50) CYP3A4MAPK13MAPK12MAPK11MAPK14
SCHEMBL2197570 0.80 MAPT (0.50) MAPK13MAPK12MAPK11MAPK14FLT1
SCHEMBL2199850 0.79 MAPK13 (0.52) CYP3A4MAPK13MAPK12MAPK11MAPK14
SCHEMBL7035012 0.78 CYP3A4 (0.48) CYP3A4MAPK13MAPK12MAPK11MAPK14
SCHEMBL2198191 0.78 SRD5A2 (0.47) CYP3A4MAPK13MAPK12MAPK11MAPK14
SCHEMBL7090488 0.77 JAK2 (0.53) CYP3A4JAK2TYK2CHRM2CHRM3
SCHEMBL5172393 0.77 MAPK13 (0.61) CYP3A4MAPK13MAPK12MAPK11MAPK14
SCHEMBL8304975 0.77 MAPK14 (0.47) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL2857233 0.76 MAPK13 (0.52) CYP3A4MAPK13MAPK12MAPK11MAPK14
SCHEMBL2197311 0.75 MAPT (0.49) CYP3A4MAPK13MAPK12MAPK11MAPK14

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
EP-1658263-B9 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA AS (DK) 2011-11-09 EP disclosed
US-7977387-B2 Aminobenzophenone compounds LEO PHARMA A/S (DK) 2011-07-12 US disclosed
CN-1826310-B Novel aminobenzophenone compounds LEO PHARMA AS 2010-07-21 CN disclosed
EP-1658263-B1 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA AS (DK) 2010-06-02 EP disclosed
CN-1826310-A Novel aminobenzophenone compounds LEO PHARMA AS (DK) 2006-08-30 CN disclosed
US-20060166990-A1 Novel aminobenzophenone compounds LEO PHARMA A/S (DK) 2006-07-27 US disclosed
EP-1658263-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS Leo Pharma A/S (DK) 2006-05-24 EP disclosed
WO-2005009940-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA A/S (DK) 2005-02-03 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-20060166990-A1 Novel aminobenzophenone compounds NFKBIA, UACA, ALDH7A1 CYP3A4 613/4885MAPK13 1063/4885MAPK12 955/4885

“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.