SCHEMBL723083

SCHEMBL723083

COc1cc(-c2cc3nccc(C4CCNCC4)c3o2)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.46
ACVR1 Q04771 3/20 0.46
HTR1A P08908 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
HTR2C P28335 2/20 0.40
FYN P06241 1/20 0.38
ACVR1B P36896 1/20 0.38
KCNH2 Q12809 1/20 0.38
CYP1A1 P04798 3/20 0.38
CYP1B1 Q16678 3/20 0.38
CYP1A2 P05177 1/20 0.38
SYK P43405 3/20 0.38
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37

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
SCHEMBL721995 0.81 CDK9 (0.40) TGFBR1ACVR1KCNH2CCNT1CDK9
SCHEMBL15210578 0.78 NCF1 (0.55) TGFBR1ACVR1ACVR1BKCNH2
SCHEMBL722264 0.77 ALK (0.49) ACVR1KCNH2
SCHEMBL723093 0.76 PDE4C (0.55) FYNCYP1A1CYP1B1CYP1A2SYK
SCHEMBL721335 0.75 SYK (0.45) CYP1A1CYP1B1CYP1A2SYKCCNB2
SCHEMBL15210347 0.74 MAPK1 (0.35) TGFBR1ACVR1CYP1A1CYP1B1CYP1A2
SCHEMBL10266957 0.74 PRKCI (0.41) CYP1A2
SCHEMBL10267671 0.74 SYK (0.33) CYP1A1CYP1B1CYP1A2SYKCCNB2
SCHEMBL15210345 0.74 ROCK2 (0.43) KCNH2SYK
SCHEMBL722839 0.72 PDE4C (0.51) FYNCYP1A1CYP1B1CYP1A2SYK

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 TGFBR1 455/4885ACVR1 2178/4885HTR1A 1389/4885

“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.