SCHEMBL12045447

SCHEMBL12045447

C/C=C\c1c(C)n(-c2ccc3c(c2)CCN3)c(=O)n1C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 1/20 0.38
CYP11B2 P19099 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
AR P10275 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30

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
SCHEMBL15082035 0.74 MAP3K11 (0.43) MAP3K11CYP11B2DRD2DRD4AR
SCHEMBL12045455 0.74 GSK3A (0.42) ALDH1A1ALOX15MAPTTSHRHSP90AA1
SCHEMBL14209166 0.71 DRD2 (0.49) MAP3K11CYP11B2DRD2DRD4ALDH1A1
SCHEMBL24405711 0.64 OPRM1 (0.43) MAP3K11ARALDH1A1ALOX15GAA
SCHEMBL31599423 0.64 GAA (0.49) DRD2DRD4ALDH1A1GAAMAPT
SCHEMBL1997957 0.64 CYP11B2 (0.44) MAP3K11CYP11B2DRD2DRD4AR
SCHEMBL26683830 0.64 CRBN (0.47) MAP3K11CYP11B2DRD2DRD4AR
SCHEMBL5626795 0.62 CYP11B2 (0.45) MAP3K11CYP11B2DRD2DRD4AR
SCHEMBL19872898 0.61 MAPT (0.48) CYP11B2DRD2DRD4ALDH1A1ALOX15
SCHEMBL2700854 0.61 KMT2A (0.47) DRD2DRD4ALDH1A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940758-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-27 US disclosed
US-20130303553-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2013-11-14 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-20110319394-A1 FUSED HETEROCYCLIC COMPOUNDS PDE5A, PDE2A, PDE3A MAP3K11 1893/4885CYP11B2 132/4885DRD2 201/4885
US-20130303553-A1 FUSED HETEROCYCLIC COMPOUNDS PDE5A, PDE2A, PDE3A MAP3K11 1893/4885CYP11B2 132/4885DRD2 201/4885

“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.