SCHEMBL4644221

SCHEMBL4644221

COc1ccc(-c2ccnc(-n3c(=O)n(C4CCCC4)c4ccccc43)n2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FAAH O00519 4/20 0.45
MAP3K11 Q16584 2/20 0.42
PDE4D Q08499 8/20 0.41
PDE4A P27815 7/20 0.41
PDE4B Q07343 7/20 0.41
PDE4C Q08493 7/20 0.41
PIK3CA P42336 1/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL4642920 0.94 PDE4D (0.50) FAAHPDE4DPDE4APDE4BPDE4C
SCHEMBL4642976 0.81 FAAH (0.42) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL4642937 0.80 PDE4D (0.50) PDE4DPDE4APDE4BPDE4C
SCHEMBL4645037 0.80 PDE4D (0.46) PDE4DPDE4APDE4BPDE4C
SCHEMBL4642625 0.80 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL4642908 0.80 KMO (0.43) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL4648097 0.78 PDE4A (0.49) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL4644167 0.78 PDE4D (0.52) PDE4DPDE4APDE4BPDE4CPIK3CA
SCHEMBL4645805 0.77 PDE4D (0.45) PDE4DPDE4APDE4BPDE4C
SCHEMBL4645161 0.77 PDE4D (0.45) PDE4DPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207659-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE 4 RANBAXY LABORATORIES LIMITED (IN) 2008-08-28 US claimed
EP-1958947-A1 Inhibitors of phosphodiesterase type 4 Ranbaxy Laboratories Limited (IN) 2008-08-20 EP claimed
US-20080207659-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE 4 RANBAXY LABORATORIES LIMITED (IN) 2008-08-28 US disclosed
EP-1958947-A1 Inhibitors of phosphodiesterase type 4 Ranbaxy Laboratories Limited (IN) 2008-08-20 EP 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-20080207659-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE 4 PDE4A, PDE4B, PDE4C KDM4E 1637/4885ALDH1A1 700/4885HPGD 95/4885

“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.