SCHEMBL5486696

SCHEMBL5486696

COc1cc2c(cc1OC)C(c1ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc1)=NN(C)C(=O)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
BRD4 O60885 2/20 0.36
CHEK1 O14757 2/20 0.36
MET P08581 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK10 P53779 1/20 0.35
PDGFRB P09619 1/20 0.35
AKR1C3 P42330 1/20 0.34

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
SCHEMBL5484469 0.91 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL6626258 0.87 NR1H4 (0.43) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL5492316 0.84 ALDH1A1 (0.53) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL5484921 0.84 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL5493764 0.83 MAPK1 (0.49) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL5484053 0.82 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL5492941 0.82 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL29942019 0.82 CYP1A2 (0.62) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL5486147 0.82 MAPK1 (0.47) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL5493021 0.81 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19

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 CYP1A2 155/4885CYP3A4 264/4885CYP2C9 206/4885

“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.