SCHEMBL1701482

SCHEMBL1701482

CCn1c(=O)n(-c2ccc(Oc3nc4ccccc4n3C)cc2)c2ncc(C#N)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.42
PDE10A Q9Y233 5/20 0.39
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
CYP1A2 P05177 6/20 0.37
CYP3A4 P08684 6/20 0.37
USP2 O75604 5/20 0.37
HTT P42858 1/20 0.37
TDP2 O95551 2/20 0.37
ALDH1A1 P00352 4/20 0.36
CYP2C19 P33261 3/20 0.36
CYP2C9 P11712 3/20 0.36
AR P10275 1/20 0.36
HIF1A Q16665 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
NPC1 O15118 1/20 0.36
CYP2D6 P10635 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK1 P28482 2/20 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
SCHEMBL1701278 0.90 PDE10A (0.40) PTGER4PDE10ACYP1A2CYP3A4USP2
SCHEMBL1701524 0.88 HTT (0.42) PDE10AMAPTHPGDCYP1A2CYP3A4
SCHEMBL1701345 0.87 PDE10A (0.40) PDE10AMAPTHPGDCYP1A2CYP3A4
SCHEMBL9981029 0.85 CYP1A2 (0.42) PDE10AMAPTHPGDCYP1A2CYP3A4
SCHEMBL1701334 0.84 PDE10A (0.47) PDE10AMAPTHPGDCYP1A2CYP3A4
SCHEMBL1701359 0.80 TDP2 (0.49) PTGER4TDP2ALDH1A1ARNPC1
SCHEMBL9980978 0.80 HTT (0.42) PDE10AMAPTHPGDCYP1A2CYP3A4
SCHEMBL9980859 0.78 PDE10A (0.46) PDE10AHTT
SCHEMBL9980943 0.77 PDE10A (0.42) PDE10ACYP1A2CYP3A4USP2HTT
SCHEMBL9981086 0.77 PDE10A (0.45) PDE10AMAPTCYP1A2CYP3A4USP2

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 27 patents — showing the first 20. 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
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-9226921-B2 Fused heterocyclic compounds as phosphodiesterases (PDES) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-05 US 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-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-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-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-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
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 (2 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 PTGER4 1034/4885PDE10A 13/4885MAPT 4278/4885
US-20110319394-A1 FUSED HETEROCYCLIC COMPOUNDS PDE5A, PDE2A, PDE3A PTGER4 530/4885PDE10A 12/4885MAPT 3886/4885

“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.