SCHEMBL934515

SCHEMBL934515

CCC(=O)N(Cc1ccc2ncccc2c1)c1cccc(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.44
MET P08581 2/20 0.42
PDK1 Q15118 2/20 0.40
TGFBR1 P36897 3/20 0.39
PTGDR2 Q9Y5Y4 7/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ACACB O00763 1/20 0.39
ADORA2A P29274 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
SCHEMBL934647 0.81 PTGDR2 (0.46) PDK1PTGDR2HDAC1HDAC8HDAC6
SCHEMBL933241 0.81 PDK1 (0.52) PDK1PTGDR2
SCHEMBL934148 0.80 PTGDR2 (0.54) PTGDR2
SCHEMBL933200 0.79 PTGDR2 (0.56) PTGDR2HDAC1HDAC8HDAC6
SCHEMBL934199 0.79 PTGDR2 (0.56) PDK1PTGDR2
SCHEMBL2681451 0.79 LTB4R2 (0.44) PTGDR2HDAC1HDAC8HDAC6
SCHEMBL934520 0.78 PDK1 (0.51) PDK1PTGDR2
SCHEMBL935192 0.78 PTGDR2 (0.57) PTGDR2
SCHEMBL933849 0.78 PTGDR2 (0.43) PDK1PTGDR2
SCHEMBL934678 0.78 LTB4R2 (0.54) PTGDR2

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 USP30 3073/4885MET 4509/4885PDK1 1795/4885

“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.