SCHEMBL6163382

SCHEMBL6163382

CS(=O)(=O)c1nccn1-c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(C(=N)N)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 10/20 0.45
CYP3A4 P08684 5/20 0.45
CYP2C9 P11712 4/20 0.45
F2 P00734 2/20 0.41
F10 P00742 2/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2D6 P10635 2/20 0.39
SCN3A Q9NY46 3/20 0.39
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
JAK2 O60674 1/20 0.38
ROCK2 O75116 1/20 0.38
JAK1 P23458 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
SCHEMBL6169837 0.86 NAMPT (0.43) NAMPTCYP3A4CYP2C9F2F10
SCHEMBL6163395 0.84 NAMPT (0.44) NAMPTCYP3A4CYP2C9ALDH1A1LMNA
SCHEMBL6166700 0.79 F10 (0.51) NAMPTCYP3A4CYP2C9F2F10
SCHEMBL6163514 0.76 F10 (0.54) F2F10PRSS1PRSS2PRSS3
SCHEMBL6163390 0.76 NR1I2 (0.36) F2F10PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7106426 0.75 F10 (0.53) NAMPTCYP3A4CYP2C9F2F10
SCHEMBL6166353 0.71 F10 (0.62) F2F10PRSS1PRSS2PRSS3
SCHEMBL6164332 0.71 F10 (0.62) F2F10PRSS1PRSS2PRSS3
SCHEMBL6162857 0.71 F10 (0.51) F2F10PRSS1PRSS2PRSS3
SCHEMBL6165196 0.71 F10 (0.51) F2F10PRSS1PRSS2PRSS3

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 7 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 claimed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP claimed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO claimed
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 NAMPT 348/4885CYP3A4 114/4885CYP2C9 37/4885

“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.