SCHEMBL2528009

SCHEMBL2528009

COc1ccccc1Cc1nc2c(OC)ccc(C3C(=O)c4ccc(OCc5ccccc5)cc4C3=O)c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 1/20 0.42
▸ PDE1A P54750 1/20 0.42
▸ PDE1B Q01064 1/20 0.42
▸ PDE1C Q14123 1/20 0.42
▸ MAPT P10636 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ BCHE P06276 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ PNP P00491 2/20 0.38
▸ STK10 O94804 1/20 0.37
▸ SLK Q9H2G2 1/20 0.37
▸ TOP1 P11387 1/20 0.36
▸ XDH P47989 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
SCHEMBL8601582 0.93 MAPT (0.41) MAPTMAPK1KDM4EMAOAMAOB
SCHEMBL8598873 0.91 ADORA3 (0.40) MAPTMAPK1MAOAMAOBPNP
SCHEMBL8671822 0.90 MAPT (0.41) MAPTMAPK1KDM4EMAOAMAOB
SCHEMBL8576284 0.90 MAPT (0.41) MAPTMAPK1KDM4EMAOAMAOB
SCHEMBL8571260 0.89 MAPT (0.40) MAPTMAPK1KDM4EMAOAMAOB
SCHEMBL8569752 0.89 MAPT (0.40) MAPTMAPK1KDM4EMAOAMAOB
SCHEMBL8574117 0.86 TDP2 (0.39) MAPTMAPK1KDM4EMAOAMAOB
SCHEMBL8603781 0.86 MAPT (0.42) MAPTMAPK1KDM4EMAOAMAOB
SCHEMBL8600361 0.85 PDE4A (0.38) MAPTMAPK1BCHEKDM4EMAOA
SCHEMBL8572042 0.84 PRMT5 (0.48) MAPTMAPK1MAOAMAOBTOP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048658-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-02-25 — — US claimed
EP-2125753-A1 FUSED HETEROCYCLIC COMPOUNDS HAVING CRF ANTAGONISTIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2009-12-02 — — EP claimed
WO-2008082003-A1 FUSED HETEROCYCLIC COMPOUNDS HAVING CRF ANTAGONISTIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-10 — — WO claimed
US-8039500-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-18 — — US disclosed
US-20100048658-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-02-25 — — US disclosed
EP-2125753-A1 FUSED HETEROCYCLIC COMPOUNDS HAVING CRF ANTAGONISTIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2009-12-02 — — EP disclosed
WO-2008082003-A1 FUSED HETEROCYCLIC COMPOUNDS HAVING CRF ANTAGONISTIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-10 — — WO disclosed
WO-1998005327-A1 SUBSTITUTED AROMATIC COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-12 — — 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-20100048658-A1 FUSED HETEROCYCLIC COMPOUNDS CRHR1, CRHR2, CRH PDE9A 2265/4885PDE1A 2984/4885PDE1B 3067/4885

“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.

Send feedback