Sugi Predict

Sugi Predict / Compounds / SCHEMBL5486160

SCHEMBL5486160

SCHEMBL5486160

COc1cccc(-c2ccc(C3=NN(C)C(=O)Cc4cc(OC)c(OC)cc43)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.43
▸ PDE7A Q13946 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ PDE10A Q9Y233 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ BACE1 P56817 7/20 0.41
▸ BACE2 Q9Y5Z0 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ ABCC1 P33527 1/20 0.39
▸ DHODH Q02127 1/20 0.39

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 0.90 ALDH1A1 (0.53) MAPK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5490322 0.89 CYP1A2 (0.46) MAPK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6626258 0.86 NR1H4 (0.43) MAPK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5484469 0.85 CYP1A2 (0.43) MAPK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5492933 0.85 TDP2 (0.47) MAPK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5484921 0.85 CYP1A2 (0.50) MAPK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5488285 0.85 TDP2 (0.46) MAPK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5493764 0.84 MAPK1 (0.49) MAPK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5484416 0.84 CYP11B1 (0.47) MAPK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5490244 0.83 CYP1A2 (0.46) MAPK1CYP1A2CYP3A4CYP2C9CYP2C19

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 MAPK1 1521/4885CYP1A2 155/4885CYP3A4 264/4885

“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.