SCHEMBL723620

SCHEMBL723620

CS(=O)(=O)c1cncc(-c2ccnc3cc(-c4ccc(-c5cnn(CCO)c5)cc4)oc23)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
MET P08581 5/20 0.36
NAMPT P43490 1/20 0.36
MAP4K4 O95819 1/20 0.35
KCNH2 Q12809 2/20 0.35
MAP3K7 O43318 1/20 0.35
TAB1 Q15750 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.35
IKBKE Q14164 2/20 0.34
TBK1 Q9UHD2 2/20 0.34
ABL1 P00519 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
CDK19 Q9BWU1 1/20 0.34
MAP4K1 Q92918 1/20 0.34
TTK P33981 1/20 0.33

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
SCHEMBL725211 0.87 CCNC (0.40) KCNH2MAP3K7TAB1PIK3C3CCNC
SCHEMBL722231 0.84 MAP4K4 (0.42) METNAMPTMAP4K4IKBKETBK1
SCHEMBL723361 0.84 MET (0.42) CYP2C9METNAMPTMAP4K4IKBKE
SCHEMBL723480 0.83 PIK3C3 (0.39) PIK3C3
SCHEMBL725081 0.82 IRAK4 (0.37) METNAMPTMAP4K4IKBKETBK1
SCHEMBL15216703 0.82 PIK3C3 (0.38) PIK3C3
SCHEMBL724686 0.81 MET (0.42) METNAMPTMAP4K4IKBKETBK1
SCHEMBL724193 0.80 MET (0.46) METNAMPTMAP4K4IKBKETBK1
SCHEMBL723996 0.79 MET (0.40) METNAMPTMAP4K4KCNH2IKBKE
SCHEMBL15209542 0.79 MET (0.40) METNAMPTMAP4K4IKBKETBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609100-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-24 EP claimed
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US claimed
US-20130225569-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US claimed
EP-2609100-A2 FUROPYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP claimed
CN-103052640-A Furopyridine derivatives MERCK PATENT GMBH 2013-04-17 CN claimed
WO-2012025187-A2 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO claimed
EP-2609100-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-24 EP disclosed
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
US-20130225569-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US disclosed
US-20130225569-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US 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-20130225569-A1 FUROPYRIDINE DERIVATIVES SYK, FCGRT, SSB CYP3A4 2796/4885CYP2C9 1862/4885MET 1482/4885

“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.