SCHEMBL9982015

SCHEMBL9982015

COc1cc(-n2nccc2OC(F)F)ccc1-n1ccc(=O)c(-c2cc(C)nn2-c2cccc(OC(F)(F)F)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 8/20 0.53
SLC5A1 P13866 5/20 0.38
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
P2RY1 P47900 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL12046007 0.92 PDE10A (0.54) PDE10ASLC5A1ALDH1A1
SCHEMBL9981006 0.92 PDE10A (0.63) PDE10AALDH1A1KDM4EHPGDNPSR1
SCHEMBL9981623 0.92 PDE10A (0.53) PDE10ASLC5A1ALDH1A1KDM4EHPGD
SCHEMBL9981073 0.91 CYP1A2 (0.43) PDE10AALDH1A1PSEN1PSEN2APH1B
SCHEMBL9981983 0.91 PDE10A (0.45) PDE10AALDH1A1
SCHEMBL9981048 0.90 PDE10A (0.44) PDE10AALDH1A1KDM4EHPGDNPSR1
SCHEMBL9981090 0.88 PDE10A (0.53) PDE10ASLC5A1ALDH1A1PSEN1PSEN2
SCHEMBL9981222 0.85 PDE10A (0.47) PDE10ASLC5A1ALDH1A1PSEN1PSEN2
SCHEMBL12045981 0.85 PDE10A (0.64) PDE10AALDH1A1KDM4EHPGDNPSR1
SCHEMBL9981049 0.84 PDE10A (0.46) PDE10ASLC5A1PSEN1PSEN2APH1B

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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-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-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-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
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 PDE10A 13/4885SLC5A1 1472/4885ALDH1A1 166/4885
US-20110319394-A1 FUSED HETEROCYCLIC COMPOUNDS PDE5A, PDE2A, PDE3A PDE10A 12/4885SLC5A1 1263/4885ALDH1A1 135/4885
US-20130303553-A1 FUSED HETEROCYCLIC COMPOUNDS PDE5A, PDE2A, PDE3A PDE10A 12/4885SLC5A1 1263/4885ALDH1A1 135/4885
US-20140228320-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS PDE3A, PDE5A, PDE2A PDE10A 13/4885SLC5A1 1472/4885ALDH1A1 166/4885

“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.