SCHEMBL723840

SCHEMBL723840

COc1cccc(-c2cc3nccc(-c4cccc(OC)c4)c3o2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.48
CDK1 P06493 1/20 0.48
CCNB1 P14635 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
CCNB3 Q8WWL7 1/20 0.48
DYRK1A Q13627 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
CYP1A1 P04798 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP1B1 Q16678 2/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 4/20 0.45
KDM4E B2RXH2 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
USP2 O75604 1/20 0.45

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
SCHEMBL724917 0.95 TOP1 (0.48) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL721362 0.85 DYRK1A (0.47) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL723435 0.82 EGFR (0.47) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL724163 0.82 HPGD (0.40) GSK3BCDK5DYRK1ACLK4ALDH1A1
SCHEMBL721487 0.80 ADORA2A (0.45) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL724620 0.80 PDE4A (0.51) CYP1A1CYP1A2CYP1B1ALDH1A1HPGD
SCHEMBL722854 0.79 FAAH (0.41) DYRK1ACYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL723676 0.79 GRM5 (0.43) DYRK1A
SCHEMBL721530 0.78 PDE4C (0.47)
SCHEMBL15173003 0.78 TBK1 (0.53)

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 13 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
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
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 CCNB2 2219/4885CDK1 251/4885CCNB1 1168/4885

“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.