SCHEMBL725317

SCHEMBL725317

COc1ccc(C(N)=O)cc1-c1ccnc2cc(-c3cc(OC)c(OC)c(OC)c3)oc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.45
MAP3K11 Q16584 2/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40
CHEK1 O14757 1/20 0.40
CHEK2 O96017 1/20 0.40
PDE4C Q08493 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
CHUK O15111 1/20 0.39
INSR P06213 1/20 0.39
MAPK8 P45983 1/20 0.39
CAMKK2 Q96RR4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
RELA Q04206 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 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
SCHEMBL724404 0.91 KDM4C (0.42) FYNCYP1A1CYP1A2CYP1B1PDE4C
SCHEMBL722941 0.90 CYP1A1 (0.40) FYNCYP1A1CYP1A2CYP1B1PDE4C
SCHEMBL15210384 0.89 MAPK1 (0.43) FYNCHEK1CHEK2MKNK1MKNK2
SCHEMBL723977 0.86 CFTR (0.42) FYNBRD4
SCHEMBL724238 0.84 FYN (0.44) FYNMAP3K11CYP1A1CYP1B1PDE4C
SCHEMBL723398 0.84 CALCRL (0.50) FYNCYP1A1CYP1A2CYP1B1CHEK2
SCHEMBL16429205 0.84 KMT2A (0.41) FYNMAPK1BRD4
SCHEMBL723070 0.83 PTPN1 (0.42) FYNCYP1A1CYP1A2CYP1B1PDE4C
SCHEMBL722753 0.82 NEK2 (0.47) FYNCYP1A1CYP1A2CYP1B1PDE4C
SCHEMBL15210411 0.82 KDM4E (0.44) FYNCYP1A1CYP1A2CYP1B1MKNK1

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 10 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
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
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
WO-2012025187-A2 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 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-20130225569-A1 FUROPYRIDINE DERIVATIVES SYK, FCGRT, SSB FYN 33/4885MAP3K11 1278/4885CYP1A1 452/4885

“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.