SCHEMBL6165250

SCHEMBL6165250

CCOC(=O)c1cn(Cc2cccc3ccccc23)cc1-c1cccc(C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.51
FNTB P49356 2/20 0.51
KDM4E B2RXH2 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
ELANE P08246 1/20 0.44
CDC25B P30305 2/20 0.42
CNR2 P34972 2/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
MCL1 Q07820 2/20 0.40
BAD Q92934 2/20 0.40
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CDC25A P30304 1/20 0.40
CDC25C P30307 1/20 0.40

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
SCHEMBL6884036 0.86 MCL1 (0.46) MCL1BAD
SCHEMBL6170073 0.85 FNTA (0.44) FNTAFNTBKDM4ETDP1ELANE
SCHEMBL7105819 0.84 KDM4E (0.47) FNTAFNTBKDM4ETDP1ELANE
SCHEMBL6842436 0.81 CDC25B (0.57) FNTAFNTBKDM4ETDP1CDC25B
SCHEMBL7100618 0.81 POLB (0.44) FNTAFNTBKDM4ETDP1ELANE
SCHEMBL6163480 0.80 POLB (0.44) FNTAFNTBKDM4ETDP1ELANE
SCHEMBL6163470 0.78 NPC1 (0.46) FNTAFNTBKDM4ETDP1ELANE
Trifluoroacetic Acid SCHEMBL6167729 0.78 FNTA (0.48) FNTAFNTBCDC25BCNR2MCL1
Trifluoroacetic Acid SCHEMBL6167727 0.76 FNTA (0.44) FNTAFNTBKDM4ETDP1CDC25B
Trifluoroacetic Acid SCHEMBL6164461 0.76 FNTA (0.44) FNTAFNTBKDM4ETDP1CDC25B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2005-05-12 US 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-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2005-05-12 US 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 (2 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-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative SHBG, PRLHR, FSHR FNTA 3791/4885FNTB 4268/4885KDM4E 1858/4885
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI FNTA 654/4885FNTB 1197/4885KDM4E 2473/4885

“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.