SCHEMBL15082034

SCHEMBL15082034

CN1CCc2cc(-n3c(=O)n(C)c4ccccc43)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
PGR P06401 1/20 0.38
DRD3 P35462 2/20 0.38
HTR6 P50406 1/20 0.38
AR P10275 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
TSHR P16473 2/20 0.36
CYP1A2 P05177 2/20 0.36
PKM P14618 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 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
SCHEMBL15082033 0.78 HSP90AA1 (0.46) NOTUMMAPTMEN1GAAKMT2A
SCHEMBL24405590 0.78 GRM5 (0.48) PGRALDH1A1TMEM97SIGMAR1TSHR
SCHEMBL8339660 0.76 F10 (0.41) NOTUMDRD3HTR6ARALDH1A1
SCHEMBL24406001 0.75 NOTUM (0.53) NOTUMALDH1A1MAPTGAAKMT2A
SCHEMBL24405379 0.75 HTR6 (0.48) HTR6
SCHEMBL15082035 0.75 MAP3K11 (0.43) PGRARALDH1A1DDB1CRBN
SCHEMBL12045448 0.74 MAPT (0.36) NOTUMDRD3HTR6ARALDH1A1
SCHEMBL24405711 0.72 OPRM1 (0.43) PGRARALDH1A1MEN1GAA
SCHEMBL24405502 0.71 NOTUM (0.50) NOTUMPGRALDH1A1TMEM97SIGMAR1
SCHEMBL24405555 0.71 PGR (0.37) PGRARALDH1A1MAPTTSHR

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 5 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-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-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

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 NOTUM 473/4885PGR 3654/4885DRD3 847/4885
US-20140228320-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS PDE3A, PDE5A, PDE2A NOTUM 473/4885PGR 3654/4885DRD3 847/4885

“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.