SCHEMBL723571

SCHEMBL723571

NCc1ccc(-c2ccnc3cc(-c4ccccc4)oc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.44
SGK1 O00141 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
ADRB2 P07550 1/20 0.40
CSNK2A1 P68400 2/20 0.39
CFD P00746 1/20 0.39
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 1/20 0.38
ADORA2A P29274 1/20 0.38
PIK3CA P42336 1/20 0.38
CYP2A6 P11509 3/20 0.38
CYP2E1 P05181 2/20 0.38

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
SCHEMBL723961 0.91 CYP1A2 (0.40) TAAR1SGK1CYP1A2CYP1A1CYP1B1
SCHEMBL27920129 0.87 CYP1A1 (0.48) CYP1A2CYP1A1CYP1B1NPC1KDM4E
SCHEMBL723447 0.82 FYN (0.38) CYP1A2CYP1A1CYP1B1PIK3CA
SCHEMBL12503586 0.81 ADORA2A (0.45) CYP1A2CYP1A1CYP1B1NPC1KDM4E
SCHEMBL721309 0.80 PDE4C (0.47) CYP1A2CYP1A1CYP1B1ADORA2A
SCHEMBL723301 0.78 CYP1A1 (0.43) CYP1A2CYP1A1CYP1B1CSNK2A1KDM4E
SCHEMBL723599 0.77 PIK3CA (0.43) CYP1A2NPC1KDM4EALDH1A1HPGD
SCHEMBL723563 0.77 EGFR (0.41) CYP1A2CYP1A1CYP1B1KDM4EALDH1A1
SCHEMBL12503585 0.76 FYN (0.48) CYP1A2CSNK2A1CFDNPC1KDM4E
SCHEMBL721552 0.76 ADORA2A (0.44) CYP1A2CYP1A1CYP1B1NPC1KDM4E

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
EP-2609100-A2 FUROPYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP disclosed
CN-103052640-A Furopyridine derivatives MERCK PATENT GMBH 2013-04-17 CN 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 TAAR1 1366/4885SGK1 2187/4885CYP1A2 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.