SCHEMBL6165065

SCHEMBL6165065

N#Cc1ccc(-c2ccccc2CN)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.62
ADRA2C P18825 1/20 0.51
LOXL2 Q9Y4K0 1/20 0.48
TSHR P16473 1/20 0.41
MMP3 P08254 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
MAOB P27338 3/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
CYP11B2 P19099 2/20 0.38
KIF11 P52732 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ESR2 Q92731 1/20 0.38
MAPT P10636 1/20 0.38
MAOA P21397 1/20 0.37
PDK2 Q15119 1/20 0.37

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
SCHEMBL6162265 0.83 MMP3 (0.45) DPP4ADRA2CTSHRMMP3PTGDR2
SCHEMBL4935794 0.81 ADRA2C (0.44) DPP4ADRA2CTSHRMMP3PTGDR2
SCHEMBL6163112 0.81 ADRA2C (0.44) DPP4ADRA2CTSHRMMP3PTGDR2
SCHEMBL8472098 0.81 CYP2A6 (0.48) ADRA2CTSHRPTGDR2MAOBCYP11B2
SCHEMBL27596351 0.81 DPP4 (0.62) DPP4ADRA2CMAOBNOS3NOS1
SCHEMBL6167622 0.81 ADRA2C (0.77) DPP4ADRA2CLOXL2TSHRPTGDR2
SCHEMBL31463164 0.80 TSHR (0.57) TSHRMMP3MAOBCYP11B2KIF11
SCHEMBL28848262 0.79 ADRA2C (0.49) ADRA2CTSHRMMP3PTGDR2MAOB
SCHEMBL2981250 0.78 DPP4 (0.91) DPP4NOS3NOS1NOS2CYP11B2
SCHEMBL29872374 0.78 DPP4 (1.00) DPP4LOXL2CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI DPP4 540/4885ADRA2C 1810/4885LOXL2 2186/4885

“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.