SCHEMBL9980963

SCHEMBL9980963

CCn1c(=O)n(-c2ccc(C3C=Nc4nc5ccccc5n43)cc2)c2ncccc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.39
MAPK8 P45983 1/20 0.38
PGR P06401 1/20 0.38
ALDH1A1 P00352 2/20 0.35
AR P10275 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PDE10A Q9Y233 2/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
PABPC1 P11940 1/20 0.33
KMT2A Q03164 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
SCHEMBL9980973 0.79 FAAH (0.39) FAAHMAPK8PGRALDH1A1AR
SCHEMBL1701384 0.73 MAPK8 (0.38) FAAHMAPK8PGRALDH1A1AR
SCHEMBL9981039 0.72 MAPK8 (0.45) FAAHMAPK8PGRALDH1A1AR
SCHEMBL9981438 0.72 PGR (0.48) FAAHMAPK8PGRARPDE10A
SCHEMBL1701334 0.72 PDE10A (0.47) MAPK8HPGDPDE10A
SCHEMBL9980970 0.72 CYP1A2 (0.42) FAAHMAPK8PGRALDH1A1HPGD
SCHEMBL9981644 0.71 PDE10A (0.49) ALDH1A1LMNAPDE10AMEN1POLB
SCHEMBL9982288 0.70 HTT (0.46) FAAHMAPK8PGRALDH1A1LMNA
SCHEMBL1703500 0.69 PDE10A (0.41) KDM4ELMNAMAPK1PDE10AMEN1
SCHEMBL9981652 0.69 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAHPGDPDE10A

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 FAAH 203/4885MAPK8 1844/4885PGR 3654/4885
US-20110319394-A1 FUSED HETEROCYCLIC COMPOUNDS PDE5A, PDE2A, PDE3A FAAH 911/4885MAPK8 1723/4885PGR 3044/4885
US-20130303553-A1 FUSED HETEROCYCLIC COMPOUNDS PDE5A, PDE2A, PDE3A FAAH 911/4885MAPK8 1723/4885PGR 3044/4885
US-20140228320-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS PDE3A, PDE5A, PDE2A FAAH 203/4885MAPK8 1844/4885PGR 3654/4885

“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.