SCHEMBL723084

SCHEMBL723084

COc1cccc(-c2cc3nccc(Cl)c3o2)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 2/20 0.39
PDE4C Q08493 1/20 0.38
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP1B1 Q16678 1/20 0.37
ADORA2A P29274 1/20 0.37
DOT1L Q8TEK3 1/20 0.37
RPS6KA2 Q15349 2/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL721356 0.89 KDM4E (0.42) ALDH1A1MAPTKDM4EHSD17B10CYP3A4
SCHEMBL15172930 0.88 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EHSD17B10CYP3A4
SCHEMBL723240 0.87 PDE4C (0.45) QPCTALDH1A1MAPTKDM4EHSD17B10
SCHEMBL721335 0.81 SYK (0.45) ALDH1A1KDM4ECYP3A4HPGDSMN1; SMN2
SCHEMBL10267556 0.79 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL18348254 0.78 F2RL3 (0.34) ALDH1A1MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL723457 0.76 CYP1A1 (0.36) ALDH1A1CYP3A4CYP1A1CYP1A2CYP1B1
SCHEMBL723271 0.75 PDE4A (0.50) ALDH1A1MAPTKDM4EHSD17B10CYP3A4
SCHEMBL722554 0.75 KDM4E (0.44) ALDH1A1MAPTKDM4EHSD17B10CYP3A4
SCHEMBL721362 0.74 DYRK1A (0.47) ALDH1A1MAPTKDM4EHSD17B10CYP3A4

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 QPCT 4400/4885ALDH1A1 1457/4885MAPT 4861/4885

“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.