SCHEMBL6163618

SCHEMBL6163618

N#Cc1cccc(-c2ccccc2Cc2c(C#N)cccc2C(N)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.52
PTGDR2 Q9Y5Y4 2/20 0.43
IKBKB O14920 1/20 0.42
CHUK O15111 1/20 0.42
CDC7 O00311 2/20 0.41
CSF1R P07333 1/20 0.41
AR P10275 1/20 0.39
BACE1 P56817 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
XDH P47989 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
ADRA1D P25100 1/20 0.38
BCAT2 O15382 1/20 0.38
TNF P01375 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 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
SCHEMBL7106844 0.88 PARP1 (0.43) ADRA2CPTGDR2CDC7CSF1RAR
SCHEMBL6165692 0.82 ADRA2C (0.55) ADRA2CPTGDR2IKBKBCHUKCDC7
SCHEMBL20703692 0.80 BCAT2 (0.59) ADRA2CPTGDR2IKBKBCHUKCDC7
SCHEMBL28119893 0.73 NPC1 (0.44) NPC1RAB9AALDH1A1HPGDADRA1D
SCHEMBL5085509 0.73 SLC22A12 (0.61) ADRA2CPTGDR2XDHSLC22A12BRS3
SCHEMBL6165365 0.72 IRAK4 (0.44) ADRA2CPTGDR2IKBKBCHUKCSF1R
SCHEMBL6164911 0.72 ADRA2C (0.61) ADRA2CPTGDR2XDHSLC22A12
SCHEMBL6166155 0.72 ADRA2C (0.68) ADRA2CPTGDR2NPC1RAB9AALDH1A1
SCHEMBL6167622 0.72 ADRA2C (0.77) ADRA2CPTGDR2NPC1RAB9AALDH1A1
SCHEMBL10980808 0.72 ADRA2C (0.68) ADRA2CPTGDR2

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 1810/4885PTGDR2 2161/4885IKBKB 1303/4885

“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.