SCHEMBL1701199

SCHEMBL1701199

Cc1nc2c(Br)cccc2n1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.60
GALR3 O60755 2/20 0.55
NR2F2 P24468 2/20 0.55
GRM2 Q14416 1/20 0.52
HTR6 P50406 1/20 0.50
RAB9A P51151 1/20 0.49
MAPT P10636 1/20 0.48
PPARG P37231 1/20 0.47
DCTPP1 Q9H773 2/20 0.47
BRD4 O60885 2/20 0.47
TLR7 Q9NYK1 1/20 0.47
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
TP53 P04637 1/20 0.45
PDE6D O43924 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ALDH2 P05091 1/20 0.44
ALDH3A1 P30838 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL10153197 0.82 PPARG (0.48) TNFGALR3NR2F2GRM2MAPT
SCHEMBL7975722 0.82 TNF (0.60) TNFGALR3NR2F2HTR6RAB9A
SCHEMBL28076729 0.81 TNF (0.59) TNFGALR3NR2F2HTR6RAB9A
SCHEMBL28076959 0.79 TNF (0.57) TNFGALR3NR2F2HTR6RAB9A
SCHEMBL7965582 0.77 TNF (0.55) TNFGALR3NR2F2HTR6RAB9A
SCHEMBL28258350 0.76 ALDH1A1 (0.52) GRM2RAB9AMAPTPPARGKDM4E
SCHEMBL231295 0.76 TNF (1.00) TNFGALR3NR2F2RAB9AMAPT
SCHEMBL23579897 0.75 DCTPP1 (0.61) RAB9AMAPTDCTPP1L3MBTL1
SCHEMBL10443033 0.74 TNF (0.51) TNFGALR3NR2F2HTR6RAB9A
SCHEMBL31497731 0.73 BRD4 (0.47) TNFGALR3NR2F2MAPTPPARG

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-2585462-B1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2020-02-26 EP disclosed
US-9226921-B2 Fused heterocyclic compounds as phosphodiesterases (PDES) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-05 US disclosed
US-8940758-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-27 US disclosed
US-8846713-B2 Fused heterocyclic compounds as phosphodiesterases (PDEs) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-30 US disclosed
US-20140228320-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-14 US disclosed
US-20130303553-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2013-11-14 US disclosed
US-8563575-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-22 US disclosed
US-20130172328-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS CROSSWING INC. (CA) 2013-07-04 US disclosed
WO-2011163355-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-29 WO disclosed
US-20110319394-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-29 US 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 (4 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-20130172328-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS PDE3A, PDE5A, PDE2A TNF 3052/4885GALR3 2003/4885NR2F2 2685/4885
US-20110319394-A1 FUSED HETEROCYCLIC COMPOUNDS PDE5A, PDE2A, PDE3A TNF 2437/4885GALR3 2146/4885NR2F2 1461/4885
US-20130303553-A1 FUSED HETEROCYCLIC COMPOUNDS PDE5A, PDE2A, PDE3A TNF 2437/4885GALR3 2146/4885NR2F2 1461/4885
US-20140228320-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS PDE3A, PDE5A, PDE2A TNF 3052/4885GALR3 2003/4885NR2F2 2685/4885

“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.