SCHEMBL3790197

SCHEMBL3790197

Cc1cccc(-c2ccccc2CN)c1CN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.50
TAAR1 Q96RJ0 1/20 0.44
DPP8 Q6V1X1 1/20 0.41
PNMT P11086 3/20 0.41
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
HTR7 P34969 1/20 0.38
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
MYC P01106 1/20 0.34
PDK2 Q15119 1/20 0.34
P2RX7 Q99572 1/20 0.33

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
SCHEMBL2482120 0.84 DPP4 (0.57) DPP4TAAR1DPP8PNMTNOS3
SCHEMBL3670971 0.81 TAAR1 (0.46) DPP4TAAR1PNMTHTR7SLC6A2
SCHEMBL3790037 0.80 DPP4 (0.52) DPP4TAAR1PNMTNOS3NOS1
SCHEMBL3787333 0.78 DPP4 (0.73) DPP4TAAR1PNMTNOS3NOS1
SCHEMBL2482119 0.78 DPP4 (0.50) DPP4TAAR1DPP8HTR7CSNK2A1
Hydrochloric Acid SCHEMBL28845596 0.78 DPP4 (0.52) DPP4DPP8PNMT
SCHEMBL3805255 0.78 DPP4 (0.55) DPP4TAAR1PNMTNOS3NOS1
SCHEMBL29037324 0.77 PDCD1 (0.47) DPP4TAAR1DPP8PNMTHTR7
SCHEMBL394915 0.76 CYP1A2 (0.43) DPP4TAAR1SLC6A4
SCHEMBL43338 0.74

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 3267/4885TAAR1 1746/4885DPP8 1675/4885

“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.