SCHEMBL569294

SCHEMBL569294

CC(C)n1nc(-c2ccc(O)cn2)c2ncccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 5/20 0.39
PDE1B Q01064 5/20 0.39
PDE1C Q14123 5/20 0.39
ADORA1 P30542 1/20 0.34
KDR P35968 5/20 0.34
RET P07949 5/20 0.34
PIK3CD O00329 3/20 0.34
ABL1 P00519 3/20 0.34
EGFR P00533 3/20 0.34
HCK P08631 3/20 0.34
SRC P12931 3/20 0.34
PIK3CA P42336 3/20 0.34
PIK3CB P42338 3/20 0.34
MTOR P42345 3/20 0.34
PIK3CG P48736 3/20 0.34
EPHB4 P54760 3/20 0.34
PRKDC P78527 3/20 0.34
PI4KB Q9UBF8 3/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 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
SCHEMBL18561572 0.82 KDR (0.47) PDE1APDE1BPDE1CKDRRET
SCHEMBL569941 0.79 ESR1 (0.39) PDE1APDE1BPDE1CADORA1ADORA3
SCHEMBL15064660 0.76 KDR (0.37) PDE1APDE1BPDE1CKDRRET
SCHEMBL570298 0.72 PDE1A (0.37) PDE1APDE1BPDE1CRAB9A
SCHEMBL570336 0.69 PDE1A (0.40) PDE1APDE1BPDE1CKDRRET
SCHEMBL31298618 0.69 PDE1A (0.40) PDE1APDE1BPDE1CADORA1KDR
SCHEMBL15064428 0.69 MTOR (0.40) PDE1APDE1BPDE1CKDRPIK3CD
SCHEMBL20626849 0.67 PSMD14 (0.36) ABL1ESR1KDM4E
SCHEMBL28453842 0.67 METAP2 (0.51) KDM4ENPC1MAPTHTTRAB9A
SCHEMBL20626850 0.64 ALDH1A1 (0.34) ABL1KDM4ENPC1HTTRAB9A

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
EP-2601192-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICALS CO (JP) 2017-03-01 EP disclosed
US-9029536-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-12 US disclosed
US-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-04 US disclosed
EP-2601192-A1 FUSED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2013-06-12 EP disclosed
WO-2012018909-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-09 WO 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 (1 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-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS PDE10A, PDE3A, PDE2A PDE1A 15/4885PDE1B 14/4885PDE1C 46/4885

“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.