SCHEMBL934520

SCHEMBL934520

CCC(=O)N(Cc1cccc(-c2cccnc2)c1)c1cccc(C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.51
PSMB5 P28074 3/20 0.50
PTGDR2 Q9Y5Y4 6/20 0.45
EPHX2 P34913 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
CYP17A1 P05093 1/20 0.43
CYP19A1 P11511 1/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GRM5 P41594 1/20 0.41
VNN1 O95497 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL933241 0.91 PDK1 (0.52) PDK1PTGDR2L3MBTL1GRM5VNN1
SCHEMBL934124 0.90 PTGDR2 (0.46) PDK1PTGDR2PRMT6
SCHEMBL934374 0.88 PSMB5 (0.47) PDK1PSMB5PTGDR2EPHX2PRMT6
SCHEMBL934534 0.87 PTGDR2 (0.52) PDK1PTGDR2
SCHEMBL934130 0.84 PTGDR2 (0.43) PDK1PSMB5PTGDR2
SCHEMBL934647 0.82 PTGDR2 (0.46) PDK1PTGDR2
SCHEMBL934148 0.81 PTGDR2 (0.54) PTGDR2
SCHEMBL934199 0.80 PTGDR2 (0.56) PDK1PTGDR2
SCHEMBL935192 0.79 PTGDR2 (0.57) PTGDR2
SCHEMBL933849 0.79 PTGDR2 (0.43) PDK1PTGDR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454243-A2 TETRAZOLE DERIVATIVES Merck Serono SA (CH) 2012-05-23 EP disclosed
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 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-20120115869-A1 TETRAZOLE DERIVATIVES TSLP, IL5, CMA1 PDK1 1795/4885PSMB5 379/4885PTGDR2 548/4885

“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.