SCHEMBL6164018

SCHEMBL6164018

N#Cc1ccccc1-c1ccc(-c2ccnc(-c3cccc(C=NN)c3)c2C(N)=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
ESR2 Q92731 1/20 0.36
F10 P00742 1/20 0.34
CTSA P10619 2/20 0.34
FFAR1 O14842 2/20 0.33
SCN9A Q15858 2/20 0.33
PTPN5 P54829 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
ABL1 P00519 1/20 0.32
AKR1B1 P15121 1/20 0.32
RPS6KA5 O75582 1/20 0.32
MAP2K4 P45985 1/20 0.32
RPS6KA3 P51812 1/20 0.32

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
SCHEMBL6185417 0.91 CDC7 (0.36) CDC7PSEN1PSEN2APH1BNCSTN
SCHEMBL7103088 0.86 CTSA (0.35) CDC7PSEN1PSEN2APH1BNCSTN
SCHEMBL6185405 0.85 CDC7 (0.37) CDC7PSEN1PSEN2APH1BNCSTN
SCHEMBL6167430 0.85 ALDH1A1 (0.37) CDC7PSEN1PSEN2APH1BNCSTN
SCHEMBL6164851 0.84 RPS6KA5 (0.31) CTSARPS6KA5MAP2K4RPS6KA3JAK3
SCHEMBL7103093 0.82 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6163106 0.80 ALOX5AP (0.40) F10
SCHEMBL6164025 0.79 F10 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6166463 0.77 F10 (0.31) F10
SCHEMBL6185415 0.76 CTSA (0.34) CDC7CTSASCN9ARPS6KA5MAP2K4

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 CDC7 3339/4885PSEN1 4297/4885PSEN2 4676/4885

“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.