SCHEMBL6068586

SCHEMBL6068586

CSc1ccc(Cc2cc(=O)[nH]c(N)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
BACE1 P56817 3/20 0.51
XDH P47989 4/20 0.47
TYMS P04818 2/20 0.42
CYP3A4 P08684 1/20 0.41
BLM P54132 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ABL1 P00519 2/20 0.40
RIN1 Q13671 2/20 0.40
FABP4 P15090 1/20 0.39
PTGES O14684 1/20 0.39
PKM P14618 1/20 0.38

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
SCHEMBL5907152 0.80 BACE1 (0.74) POLBBACE1XDHCYP3A4BLM
SCHEMBL4143300 0.73 BACE1 (0.53) POLBBACE1XDHTYMSCYP3A4
SCHEMBL4150133 0.71 BACE1 (0.57) POLBBACE1XDHCYP3A4BLM
SCHEMBL13914840 0.71 BACE1 (0.57) POLBBACE1XDHCYP3A4BLM
SCHEMBL2403638 0.71 BACE1 (0.73) POLBBACE1XDHCYP3A4BLM
SCHEMBL6024344 0.71 POLB (1.00) POLBBACE1ALDH1A1MAPTHPGD
SCHEMBL4142291 0.69 BACE1 (0.75) BACE1XDHCYP3A4BLMMAPT
SCHEMBL4499203 0.69 BACE1 (0.48) POLBBACE1XDHTYMSCYP3A4
SCHEMBL4809195 0.68 BACE1 (1.00) POLBBACE1XDHCYP3A4BLM
Benzene SCHEMBL8508944 0.68 BACE1 (0.69) POLBBACE1XDHCYP3A4BLM

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 POLB 294/4885BACE1 1389/4885XDH 76/4885

“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.