SCHEMBL3781449

SCHEMBL3781449

NCc1cccc(-c2ccccc2CN)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.64
HTR7 P34969 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
ADRA2C P18825 1/20 0.45
CFD P00746 5/20 0.44
CSNK2A1 P68400 3/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
F11 P03951 1/20 0.44
KLKB1 P03952 1/20 0.44
F7 P08709 1/20 0.44
TPSB2 P20231 1/20 0.44
PNMT P11086 1/20 0.44
ENPP2 Q13822 1/20 0.44
MAPK1 P28482 1/20 0.43
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A3 Q8NEV1 1/20 0.42
NOS3 P29474 1/20 0.42

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
SCHEMBL27649924 0.84 LOXL2 (0.58) DPP4HTR7LOXL2TAAR1CFD
SCHEMBL3789280 0.84 HTR7 (0.49) DPP4HTR7LOXL2TAAR1CFD
SCHEMBL14601394 0.83 HTR7 (0.52) DPP4HTR7LOXL2ADRA2CCFD
SCHEMBL8986211 0.83 HTR7 (0.60) DPP4HTR7ADRA2CNOS3NOS1
SCHEMBL3789431 0.82 DPP4 (0.72) DPP4LOXL2TAAR1CSNK2A1PNMT
SCHEMBL3787571 0.81 DPP4 (0.64) DPP4ADRA2CPNMTENPP2NOS3
SCHEMBL3790240 0.81 ALDH1A1 (0.54) DPP4HTR7LOXL2TAAR1CFD
Formic Acid SCHEMBL28329379 0.81 DPP4 (0.54) DPP4HTR7ADRA2CCFDPLG
SCHEMBL23329978 0.80 HTR7 (0.42) DPP4HTR7CFDF11TPSB2
SCHEMBL5478510 0.79 DPP4 (0.62) DPP4HTR7TAAR1ADRA2CPNMT

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 3267/4885HTR7 1295/4885LOXL2 1544/4885

“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.