SCHEMBL9980922

SCHEMBL9980922

CCn1c(=O)n(-c2ccc(O)cc2)c2ncc(OCC(F)F)cc21

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.34
TNF P01375 1/20 0.33
LITAF Q99732 1/20 0.33
GRIN1 Q05586 9/20 0.33
GRIN2B Q13224 9/20 0.33
ADORA2A P29274 3/20 0.33
ADORA1 P30542 3/20 0.33
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
PRKDC P78527 1/20 0.32
AR P10275 1/20 0.32
MAPK8 P45983 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CCND2 P30279 1/20 0.32
CCND3 P30281 1/20 0.32
TP53 P04637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MAOB P27338 1/20 0.31

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
SCHEMBL9981223 0.88 GRIN1 (0.36) PGRGRIN1GRIN2BPIK3CAMTOR
SCHEMBL7692670 0.86 L3MBTL1 (0.45) PGRADORA2AADORA1PIK3CAPRKDC
SCHEMBL9981505 0.85 AR (0.36) PGRGRIN1GRIN2BPIK3CAMTOR
SCHEMBL9980975 0.82 PGR (0.40) PGRGRIN1GRIN2BPIK3CAMTOR
SCHEMBL9982131 0.81 PGR (0.41) PGRADORA1PIK3CAMTORPRKDC
SCHEMBL12060255 0.78 KDM4E (0.43) PGRTNFLITAFADORA2AADORA1
SCHEMBL9982013 0.78 HPGD (0.45) PGRGRIN1GRIN2BMAPK8CDK4
SCHEMBL7703761 0.78 PDE10A (0.39) ADORA2AADORA1
SCHEMBL1701458 0.76 PTGER4 (0.46) PGRARMAPK8CDK4CCND1
SCHEMBL9982135 0.72 NPC1 (0.50) PGRPIK3CAPRKDCMAPK8MAOB

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 9 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
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 PGR 3654/4885TNF 3052/4885LITAF 2986/4885
US-20110319394-A1 FUSED HETEROCYCLIC COMPOUNDS PDE5A, PDE2A, PDE3A PGR 3044/4885TNF 2437/4885LITAF 2347/4885
US-20130303553-A1 FUSED HETEROCYCLIC COMPOUNDS PDE5A, PDE2A, PDE3A PGR 3044/4885TNF 2437/4885LITAF 2347/4885
US-20140228320-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS PDE3A, PDE5A, PDE2A PGR 3654/4885TNF 3052/4885LITAF 2986/4885

“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.