SCHEMBL722515

SCHEMBL722515

COc1cc(-c2cc3nccc(-c4cccc(N5CCN(C)CC5)c4)c3o2)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 8/20 0.47
TGFBR1 P36897 7/20 0.47
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
FYN P06241 1/20 0.44
PDE4C Q08493 2/20 0.43
CYP1B1 Q16678 3/20 0.41
CYP1A1 P04798 2/20 0.41
CYP1A2 P05177 1/20 0.41
RPS6KA3 P51812 1/20 0.40
IMPDH2 P12268 1/20 0.40
MAP4K1 Q92918 1/20 0.39
HTR7 P34969 1/20 0.39

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
SCHEMBL725247 0.90 ACVR1 (0.56) ACVR1TGFBR1PDE4CHTR7
SCHEMBL724240 0.83 PIK3CD (0.49) KDM4EALDH1A1FYNCYP1A2
SCHEMBL10267650 0.82 FYN (0.54) ALDH1A1MAPTFYNPDE4C
SCHEMBL16638609 0.81 PDE4C (0.50) KDM4EALDH1A1FYNPDE4CCYP1B1
SCHEMBL722839 0.80 PDE4C (0.51) KDM4EMEN1ALDH1A1KMT2AFYN
SCHEMBL723093 0.80 PDE4C (0.55) KDM4EALDH1A1FYNPDE4CCYP1B1
SCHEMBL723597 0.80 FYN (0.54) ACVR1TGFBR1ALDH1A1FYNPDE4C
SCHEMBL723296 0.78 JAK2 (0.50) ACVR1ALDH1A1CYP1A2
SCHEMBL722343 0.77 PDE4C (0.47) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL722497 0.77 PDE4C (0.47) FYNPDE4CCYP1B1CYP1A1

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 ACVR1 2178/4885TGFBR1 455/4885KDM4E 1009/4885

“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.