SCHEMBL2084768

SCHEMBL2084768

Cn1c(=O)[nH]c2ccnc(Br)c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.45
PDE3A Q14432 4/20 0.45
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 4/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
MEN1 O00255 1/20 0.40
PABPC1 P11940 1/20 0.40
KMT2A Q03164 1/20 0.40
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
ADORA2B P29275 1/20 0.39
DRD1 P21728 2/20 0.37
CYP3A4 P08684 2/20 0.37
PMP22 Q01453 2/20 0.37
MAPK1 P28482 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL6644837 0.79 RXFP1 (0.57) PDE3BPDE3ARXFP1LMNAMEN1
SCHEMBL3286320 0.79 RXFP1 (0.41) PDE3BPDE3ARXFP1LMNACSNK2A2
SCHEMBL2082194 0.74 KDM4E (0.48) RXFP1LMNAMEN1PABPC1KMT2A
SCHEMBL30326124 0.72 CYP3A4 (0.47) PDE3BPDE3ARXFP1LMNACSNK2A2
SCHEMBL2085713 0.71 ADORA3 (0.49) LMNACSNK2A2CSNK2BCSNK2A1ADORA3
SCHEMBL25338053 0.71 HTR2C (0.43) DPP4
SCHEMBL3293146 0.71 UTS2R (0.41) PDE3BPDE3ARXFP1LMNAMEN1
SCHEMBL29751529 0.70 CSNK2A2 (0.46) PDE3BPDE3ALMNACSNK2A2CSNK2B
SCHEMBL24607337 0.70 CSNK2A2 (0.46) PDE3BPDE3ALMNACSNK2A2CSNK2B
SCHEMBL2085663 0.69 RXFP1 (0.34) PDE3BPDE3ARXFP1LMNAMEN1

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-8163935-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-24 US disclosed
US-20090312383-A1 Fused Heterocyclic Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-17 US disclosed
EP-1874736-A4 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2008-08-20 EP disclosed
EP-1874736-A2 FUSED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2008-01-09 EP disclosed
WO-2006116412-A2 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-02 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-20090312383-A1 Fused Heterocyclic Compounds NPY4R, CRHR1, CNR1 PDE3B 2049/4885PDE3A 2738/4885RXFP1 87/4885

“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.