SCHEMBL724917

SCHEMBL724917

COc1cccc(-c2cc3nccc(-c4ccccc4)c3o2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.48
CYP1A2 P05177 3/20 0.46
CYP1A1 P04798 2/20 0.46
CYP1B1 Q16678 2/20 0.46
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
DYRK1A Q13627 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
ALDH1A1 P00352 5/20 0.43
HPGD P15428 5/20 0.43
KMT2A Q03164 2/20 0.43
F2 P00734 1/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 4/20 0.43

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
SCHEMBL723840 0.95 CCNB2 (0.48) TOP1CYP1A2CYP1A1CYP1B1CCNB2
SCHEMBL721487 0.85 ADORA2A (0.45) TOP1CCNB2CDK1CCNB1GSK3A
SCHEMBL722854 0.85 FAAH (0.41) CYP1A2CYP1A1CYP1B1DYRK1ARAB9A
SCHEMBL723676 0.84 GRM5 (0.43) DYRK1AADORA2AADORA1
SCHEMBL27920129 0.83 CYP1A1 (0.48) TOP1CYP1A2CYP1A1CYP1B1CCNB2
SCHEMBL721362 0.83 DYRK1A (0.47) CYP1A2CYP1A1CYP1B1CCNB2CDK1
SCHEMBL723435 0.82 EGFR (0.47) CYP1A2CYP1A1CYP1B1CCNB2CDK1
SCHEMBL722839 0.81 PDE4C (0.51) CYP1A2CYP1A1CYP1B1ALDH1A1HPGD
SCHEMBL12503587 0.81 CHEK2 (0.41) TOP1ALDH1A1HPGDRAB9ANPC1
SCHEMBL12503589 0.81 ALDH1A1 (0.46) CYP1A2CYP1A1CYP1B1ALDH1A1HPGD

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 11 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-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 TOP1 248/4885CYP1A2 908/4885CYP1A1 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.