SCHEMBL723457

SCHEMBL723457

COc1c(C)cc(-c2cc3nccc(Cl)c3o2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 6/20 0.36
CYP1B1 Q16678 6/20 0.36
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
CSNK2A2 P19784 2/20 0.34
CSNK2B P67870 2/20 0.34
CSNK2A1 P68400 2/20 0.34
TLR8 Q9NR97 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ABCB1 P08183 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
TERT O14746 2/20 0.32
GAK O14976 2/20 0.32
RIPK2 O43353 1/20 0.32

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
SCHEMBL721335 0.88 SYK (0.45) CYP1A1CYP1B1CYP1A2CYP3A4CYP2C19
SCHEMBL723990 0.86 PDE4C (0.41) CYP1A1CYP1B1CYP1A2CYP3A4CYP2C19
SCHEMBL721337 0.84 CYP1A1 (0.44) CYP1A1CYP1B1CYP1A2CYP3A4CSNK2A2
SCHEMBL723046 0.82 CSNK2A2 (0.36) CYP1A1CYP1B1CYP1A2CSNK2A2CSNK2B
SCHEMBL725006 0.82 EGFR (0.46) CYP1A1CYP1B1CYP1A2CYP3A4MEN1
SCHEMBL722596 0.81 PDE4C (0.50) CYP1A1CYP1B1CYP1A2CYP3A4ALDH1A1
SCHEMBL721875 0.80 CSNK2A2 (0.40) CSNK2A2CSNK2BCSNK2A1MEN1ALDH1A1
SCHEMBL723271 0.80 PDE4A (0.50) CYP1A1CYP1B1CYP1A2CYP3A4CSNK2A2
SCHEMBL721362 0.78 DYRK1A (0.47) CYP1A1CYP1B1CYP1A2CYP3A4MEN1
SCHEMBL723959 0.78 HPGD (0.39) CYP1A1CYP1B1CYP1A2CYP3A4CSNK2A2

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 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
EP-2609100-A2 FUROPYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP disclosed
WO-2012025187-A2 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO 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 CYP1A1 452/4885CYP1B1 915/4885CYP1A2 908/4885

“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.