SCHEMBL5484416

SCHEMBL5484416

COc1cc2c(cc1OC)C(c1ccc(-c3cccnc3)cc1)=NN(C)C(=O)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.47
CYP11B2 P19099 4/20 0.47
CYP19A1 P11511 4/20 0.47
CYP3A4 P08684 3/20 0.47
CHEK1 O14757 2/20 0.47
CYP1A2 P05177 3/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
MAPK1 P28482 1/20 0.45
PDE10A Q9Y233 3/20 0.44
PDE3A Q14432 2/20 0.44
TDP2 O95551 2/20 0.43
APP P05067 1/20 0.43
PDE7A Q13946 1/20 0.43
CTSD P07339 1/20 0.43
BACE1 P56817 1/20 0.43
BACE2 Q9Y5Z0 1/20 0.43
CYP17A1 P05093 1/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 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
SCHEMBL5492316 0.84 ALDH1A1 (0.53) CYP3A4CYP1A2CYP2C9CYP2C19MAPK1
SCHEMBL5484921 0.84 CYP1A2 (0.50) CYP3A4CYP1A2CYP2C9CYP2C19MAPK1
SCHEMBL5490322 0.84 CYP1A2 (0.46) CYP3A4CYP1A2CYP2C9CYP2C19MAPK1
SCHEMBL5486160 0.84 MAPK1 (0.46) CYP3A4CYP1A2CYP2C9CYP2C19MAPK1
SCHEMBL5493764 0.83 MAPK1 (0.49) CYP3A4CYP1A2CYP2C9CYP2C19MAPK1
SCHEMBL5490244 0.82 CYP1A2 (0.46) CYP11B1CYP11B2CYP3A4CYP1A2CYP2C9
SCHEMBL5492941 0.82 CYP1A2 (0.47) CYP3A4CHEK1CYP1A2CYP2C9CYP2C19
SCHEMBL5484053 0.82 CYP1A2 (0.50) CYP3A4CHEK1CYP1A2CYP2C9CYP2C19
SCHEMBL29942019 0.82 CYP1A2 (0.62) CYP3A4CHEK1CYP1A2CYP2C9CYP2C19
SCHEMBL5486147 0.82 MAPK1 (0.47) CYP3A4CYP1A2CYP2C9CYP2C19MAPK1

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-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof BAY CITY CAPITAL LLC 2004-08-05 US claimed
US-7250410-B2 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof VIA PHARMACEUTICALS, INC. (US) 2007-07-31 US disclosed
US-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof BAY CITY CAPITAL LLC 2004-08-05 US disclosed
EP-1392663-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES THEREOF NEURO3D (FR) 2004-03-03 EP disclosed
WO-2002098865-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES THEREOF NEURO3D (FR) 2002-12-12 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-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof PDE7A, PDE3B, PDE3A CYP11B1 33/4885CYP11B2 37/4885CYP19A1 265/4885

“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.