SCHEMBL722060

SCHEMBL722060

Clc1ccnc2cc(-c3ccccc3)oc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 4/20 0.47
CYP1A2 P05177 4/20 0.47
CYP1B1 Q16678 4/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HSP90AA1 P07900 1/20 0.44
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
ATM Q13315 1/20 0.41
MAOA P21397 3/20 0.39
MAOB P27338 2/20 0.39
NPY5R Q15761 1/20 0.38
PIM1 P11309 1/20 0.36
TSHR P16473 2/20 0.36
ALOX15 P16050 2/20 0.36
CASP1 P29466 1/20 0.36
HPGD P15428 4/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 3/20 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
SCHEMBL722131 0.84 CYP1A2 (0.44) CYP1A1CYP1A2CYP1B1KMT2ANPC1
SCHEMBL724007 0.84 MAPK14 (0.43) CYP1A1CYP1A2CYP1B1NPC1RAB9A
SCHEMBL721875 0.84 CSNK2A2 (0.40) MEN1KMT2ANPC1RAB9AMAOB
SCHEMBL723593 0.83 LCK (0.41) MEN1NPC1RAB9AMAOAKDM4E
SCHEMBL15208962 0.83 MAPT (0.43) CYP1A1CYP1A2CYP1B1MEN1KMT2A
SCHEMBL723288 0.83 PBRM1 (0.41) NPC1RAB9ATSHRHPGDKDM4E
SCHEMBL30765382 0.82 RARA (0.48) MEN1KMT2ANPC1RAB9AATM
SCHEMBL724966 0.81 PDGFRB (0.47) CYP1A2NPC1RAB9APIM1
SCHEMBL723046 0.81 CSNK2A2 (0.36) CYP1A1CYP1A2CYP1B1
SCHEMBL722862 0.81 TDO2 (0.36) CYP1A1CYP1A2CYP1B1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3133074-B1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2020-12-09 EP disclosed
EP-3133074-B1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2020-12-09 EP disclosed
US-9725446-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2017-08-08 US disclosed
US-9725446-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2017-08-08 US disclosed
US-9725446-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2017-08-08 US disclosed
EP-3133074-A2 7-AZAINDOLE DERIVATIVES Merck Patent GmbH (DE) 2017-02-22 EP disclosed
EP-3133074-A2 7-AZAINDOLE DERIVATIVES Merck Patent GmbH (DE) 2017-02-22 EP disclosed
EP-2670748-B1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2016-09-28 EP disclosed
EP-2670748-B1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2016-09-28 EP disclosed
US-20160130269-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2016-05-12 US disclosed
EP-2746281-A2 7-azaindole derivatives Merck Patent GmbH (DE) 2014-06-25 EP disclosed
EP-2670748-A2 7-AZAINDOLE DERIVATIVES Merck Patent GmbH (DE) 2013-12-11 EP disclosed
US-20130310391-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2013-11-21 US disclosed
US-20130310391-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2013-11-21 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-2012104007-A2 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2012-08-09 WO 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 (3 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-20130310391-A1 7-AZAINDOLE DERIVATIVES PDK1, PDK2, PDK3 CYP1A1 2236/4885CYP1A2 2325/4885CYP1B1 2436/4885
US-20130225569-A1 FUROPYRIDINE DERIVATIVES SYK, FCGRT, SSB CYP1A1 452/4885CYP1A2 908/4885CYP1B1 915/4885
US-20160130269-A1 7-AZAINDOLE DERIVATIVES PDK1, PDK2, PDK3 CYP1A1 2310/4885CYP1A2 2412/4885CYP1B1 2511/4885

“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.