SCHEMBL3786898

SCHEMBL3786898

Cc1ccc(-c2ccccc2)c(CN)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.59
CSNK2A1 P68400 2/20 0.44
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
PSMB5 P28074 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HDAC7 Q8WUI4 1/20 0.40
ESR2 Q92731 1/20 0.40
PTGS1 P23219 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
HTR7 P34969 2/20 0.39
MAOB P27338 1/20 0.39
PDCD1 Q15116 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
SCHEMBL3781923 0.85 DPP4 (0.59) DPP4CSNK2A1SLC6A2SLC6A4SLC6A3
SCHEMBL3789670 0.83 HRH3 (0.46) DPP4CSNK2A1TAAR1CD274CNR1
SCHEMBL3788233 0.82 DPP4 (0.52) DPP4CSNK2A1SLC6A2SLC6A4SLC6A3
SCHEMBL18569389 0.82 PTGDR2 (0.46) DPP4PSMB5PTGDR2HDAC7ESR2
SCHEMBL9485214 0.82 PDCD1 (0.53) DPP4PSMB5PTGDR2HDAC7ESR2
SCHEMBL3784856 0.82 HTR7 (0.44) DPP4CSNK2A1TAAR1HTR7PDE4D
SCHEMBL20530624 0.82 MAP2K4 (0.47) DPP4TAAR1HTR7PDCD1CD274
SCHEMBL3937518 0.81 PSMB5 (0.42) DPP4PSMB5PTGDR2HDAC7ESR2
SCHEMBL27948071 0.80 DPP4 (0.63) DPP4CSNK2A1TAAR1PTGS1
SCHEMBL13038383 0.79 TAAR1 (0.46) SLC6A2SLC6A4SLC6A3PSMB5PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 DPP4 3267/4885CSNK2A1 4767/4885SLC6A2 2280/4885

“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.