SCHEMBL6068563

SCHEMBL6068563

CCOC(=O)c1cc(=O)[nH]c(N)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 6/20 0.48
MAPT P10636 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
BACE1 P56817 1/20 0.47
CYP1A2 P05177 1/20 0.47
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 2/20 0.46
KDM4E B2RXH2 5/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
CYP3A4 P08684 1/20 0.44
BLM P54132 1/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44

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
SCHEMBL16738670 0.84 PDE2A (0.50) ALDH1A1MAPTNPC1KMT2ACYP1A2
SCHEMBL1407854 0.76 CYP1A2 (0.51) MAPK1ALDH1A1MAPTNPC1RAB9A
SCHEMBL18015929 0.73 MAPK1 (0.46) MAPK1ALDH1A1MAPTNPC1RAB9A
SCHEMBL27740116 0.72 CYP1A2 (0.51) MAPK1ALDH1A1MAPTNPC1RAB9A
SCHEMBL13749721 0.72 CYP1A2 (0.51) MAPK1ALDH1A1MAPTNPC1RAB9A
SCHEMBL862340 0.72 CYP1A2 (0.66) MAPK1ALDH1A1MAPTNPC1RAB9A
SCHEMBL2706806 0.71 ALDH1A1 (0.54) MAPK1ALDH1A1MAPTNPC1RAB9A
SCHEMBL5481515 0.71 KDM4E (0.50) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL113705 0.71 CYP1A2 (0.63) MAPK1ALDH1A1MAPTNPC1RAB9A
SCHEMBL16472392 0.71 CYP1A2 (0.63) MAPK1ALDH1A1MAPTNPC1RAB9A

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-7087614-B2 Pyrimidine inhibitors of phosphodiesterase (PDE) 7 BRISTOL-MYERS SQUIBB CO. (US) 2006-08-08 US disclosed
EP-1397142-A4 PYRIMIDINE INHIBITORS OF PHOSPHODIESTERASE (PDE) 7 BRISTOL MYERS SQUIBB CO (US) 2004-11-03 EP disclosed
EP-1397142-A2 PYRIMIDINE INHIBITORS OF PHOSPHODIESTERASE (PDE) 7 Bristol-Myers Squibb Company (US) 2004-03-17 EP disclosed
US-20030162802-A1 Pyrimidine inhibitors of phosphodiesterase (PDE) 7 BRISTOL-MYERS SQUIBB COMPANY 2003-08-28 US disclosed
WO-2002102313-A2 PYRIMIDINE INHIBITORS OF PHOSPHODIESTERASE (PDE) 7 BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-27 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-20030162802-A1 Pyrimidine inhibitors of phosphodiesterase (PDE) 7 PDE7A, PDE7B, PDE3A MAPK1 1858/4885ALDH1A1 475/4885MAPT 4514/4885

“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.