SCHEMBL6165874

SCHEMBL6165874

CCOC(=O)C(Cc1ccnc(C#N)c1)(NC(=O)OC(C)(C)C)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 3/20 0.49
ALDH1A1 P00352 1/20 0.43
RECQL P46063 1/20 0.43
AAK1 Q2M2I8 10/20 0.39
MAPK1 P28482 1/20 0.37
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
ACP1 P24666 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
KCNH2 Q12809 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL2392439 0.77 L3MBTL1 (0.46) RECQLKCNH2CYP3A4
SCHEMBL29714563 0.77 L3MBTL1 (0.46) RECQLKCNH2CYP3A4
SCHEMBL4664433 0.75 ALDH1A1 (0.72) PTPRBALDH1A1RECQLPTPN2PTPN1
SCHEMBL13217214 0.75 CCNC (0.44) KCNH2
SCHEMBL17579880 0.74 PTPRB (0.56) PTPRBALDH1A1RECQLAAK1MAPK1
SCHEMBL1859341 0.74 PTPRB (0.53) PTPRBALDH1A1RECQLMAPK1PTPN2
SCHEMBL7010560 0.73 PTPRB (0.47) PTPRBALDH1A1RECQLAAK1MAPK1
SCHEMBL5779127 0.73 PTPRB (0.49) PTPRBALDH1A1RECQLMAPK1PTPN2
SCHEMBL17580362 0.73 PTPRB (0.54) PTPRBALDH1A1RECQLMAPK1PTPN2
SCHEMBL6162390 0.72 PTPN1 (0.54) PTPN1

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 PTPRB 3348/4885ALDH1A1 1388/4885RECQL 3003/4885

“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.