SCHEMBL6165960

SCHEMBL6165960

N#Cc1cccc(-c2ccccc2C(C(N)=O)c2cccc(C#N)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.48
ADRA2C P18825 1/20 0.45
HPGDS O60760 1/20 0.44
MAOB P27338 1/20 0.41
ADRA1D P25100 4/20 0.40
ADRA1A P35348 2/20 0.40
ADRA2B P18089 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
DCAF1 Q9Y4B6 1/20 0.39
ADRA1B P35368 1/20 0.39
XDH P47989 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
KCNA5 P22460 1/20 0.38
KCNH2 Q12809 1/20 0.38
F11 P03951 1/20 0.38
BACE1 P56817 1/20 0.38

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
SCHEMBL6164469 0.95 HPGDS (0.46) TNFADRA2CHPGDSMAOBADRA1D
SCHEMBL7101540 0.91 TNF (0.47) TNFADRA2CHPGDSMAOBADRA1D
SCHEMBL7108450 0.91 ADRA2C (0.44) TNFADRA2CHPGDSMAOBOPRM1
SCHEMBL6167048 0.79 IRAK4 (0.40) TNFMAOB
SCHEMBL20703692 0.74 BCAT2 (0.59) TNFADRA2CMAOBADRA1DXDH
SCHEMBL10094585 0.73 ADRA2C (0.51) ADRA2CMAOBPTGDR2PDK2
SCHEMBL996127 0.72 ADRA2C (0.64) ADRA2CMAOBXDHSLC22A12PDK2
SCHEMBL20573271 0.71 ADRA2C (0.50) TNFADRA2CMAOBXDHSLC22A12
SCHEMBL6390843 0.71 TNF (0.52) TNFHPGDSADRA1DADRA1AADRA2B
SCHEMBL6164919 0.71 GRM4 (0.48) TNFHPGDSXDHSLC22A12GRM4

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 TNF 2693/4885ADRA2C 1810/4885HPGDS 807/4885

“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.