SCHEMBL722131

SCHEMBL722131

Clc1ccnc2cc(-c3cccnc3)oc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.44
KDM4E B2RXH2 3/20 0.44
CYP1A1 P04798 2/20 0.44
CYP1B1 Q16678 2/20 0.44
PRKDC P78527 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
CYP2C19 P33261 4/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP2A6 P11509 8/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 4/20 0.40
CYP2E1 P05181 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2B6 P20813 3/20 0.40

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
SCHEMBL722060 0.84 CYP1A1 (0.47) CYP1A2KDM4ECYP1A1CYP1B1PRKDC
SCHEMBL723288 0.78 PBRM1 (0.41) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL10268113 0.78 PIK3CD (0.45) CYP1A2CYP1A1CYP1B1
SCHEMBL723593 0.78 LCK (0.41) KDM4ENPC1RAB9AALDH1A1
SCHEMBL15208962 0.78 MAPT (0.43) CYP1A2KDM4ECYP1A1CYP1B1KMT2A
SCHEMBL724966 0.76 PDGFRB (0.47) CYP1A2NPC1RAB9ACYP2A6PIK3CA
SCHEMBL722862 0.76 TDO2 (0.36) CYP1A2CYP1A1CYP1B1
SCHEMBL723046 0.76 CSNK2A2 (0.36) CYP1A2CYP1A1CYP1B1
SCHEMBL721875 0.76 CSNK2A2 (0.40) KDM4EKMT2ANPC1RAB9AALDH1A1
SCHEMBL724007 0.76 MAPK14 (0.43) CYP1A2KDM4ECYP1A1CYP1B1NPC1

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 CYP1A2 908/4885KDM4E 1009/4885CYP1A1 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.