SCHEMBL15082035

SCHEMBL15082035

Cn1c(=O)n(-c2ccc3c(c2)CCN3)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 1/20 0.43
AR P10275 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
CYP11B2 P19099 1/20 0.38
CRBN Q96SW2 4/20 0.38
DDB1 Q16531 1/20 0.38
PGR P06401 1/20 0.38
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.36
PARG Q86W56 1/20 0.35
TBXAS1 P24557 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
HTR7 P34969 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL24405711 0.90 OPRM1 (0.43) MAP3K11ARCRBNDDB1PGR
SCHEMBL24405379 0.82 HTR6 (0.48)
SCHEMBL15082034 0.75 NOTUM (0.39) ARDRD2CRBNDDB1PGR
SCHEMBL12045447 0.74 MAP3K11 (0.38) MAP3K11ARDRD2DRD4CYP11B2
SCHEMBL1997957 0.73 CYP11B2 (0.44) MAP3K11ARDRD2DRD4CYP11B2
SCHEMBL24405587 0.73 PGR (0.39) CRBNDDB1PGRPARGHTR7
SCHEMBL14209166 0.72 DRD2 (0.49) MAP3K11DRD2DRD4CYP11B2ALDH1A1
SCHEMBL1701903 0.72 MAP3K11 (0.42) MAP3K11ARDRD2DRD4CYP11B2
SCHEMBL9980855 0.72 MAP3K11 (0.42) MAP3K11ARCYP11B2CRBNPGR
SCHEMBL2700854 0.71 KMT2A (0.47) DRD2DRD4ALDH1A1

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 MAP3K11 1766/4885AR 3138/4885DRD2 684/4885
US-20140228320-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS PDE3A, PDE5A, PDE2A MAP3K11 1766/4885AR 3138/4885DRD2 684/4885

“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.