SCHEMBL6167622

SCHEMBL6167622

N#Cc1cccc(-c2ccccc2CN)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.77
DPP4 P27487 2/20 0.56
CLK4 Q9HAZ1 1/20 0.45
MAOB P27338 1/20 0.43
ADORA2A P29274 2/20 0.43
ADORA1 P30542 1/20 0.43
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
PDK2 Q15119 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL6165241 0.83 ADRA2C (0.68) ADRA2CCLK4MAOBADORA2AADORA1
SCHEMBL10980808 0.83 ADRA2C (0.68) ADRA2CCLK4MAOBADORA2AADORA1
SCHEMBL6166155 0.83 ADRA2C (0.68) ADRA2CCLK4MAOBADORA2AGABRG2
SCHEMBL28725605 0.83 ADRA2C (0.68) ADRA2CCLK4MAOBADORA2AADORA1
SCHEMBL996127 0.82 ADRA2C (0.64) ADRA2CCLK4MAOBADORA2AADORA1
SCHEMBL6165065 0.81 DPP4 (0.62) ADRA2CDPP4MAOBPTGDR2PDK2
SCHEMBL6164911 0.78 ADRA2C (0.61) ADRA2CMAOBPTGDR2
SCHEMBL5678063 0.78 ADRA2C (0.69) ADRA2CCLK4MAOBADORA2AADORA1
SCHEMBL31272452 0.78 ADRA2C (0.60) ADRA2CCLK4MAOBADORA2AADORA1
SCHEMBL3422474 0.78 ADRA2C (0.60) ADRA2CCLK4MAOBADORA2AADORA1

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 ADRA2C 1810/4885DPP4 540/4885CLK4 3232/4885

“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.