SCHEMBL5488765

SCHEMBL5488765

CCOc1cc2c(cc1OCC)C(c1cc3ccccc3s1)=NNC(=O)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
S1PR1 P21453 1/20 0.35
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
ACHE P22303 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
FOS P01100 1/20 0.34
JUN P05412 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
MAPKAPK2 P49137 1/20 0.33

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
SCHEMBL7413954 0.89 CYP1A2 (0.56) GABRA5CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL5493513 0.82 GABRA5 (0.41) GABRA5JAK2JAK3BRD4CREBBP
SCHEMBL5491350 0.80 GABRA5 (0.40) GABRA5JAK2JAK3ACHEPDE3A
SCHEMBL7413554 0.79 GABRA5 (0.43) GABRA5CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL5486198 0.78 JAK2 (0.36) GABRA5JAK2JAK3BRD4CREBBP
SCHEMBL5489956 0.77 JAK2 (0.35) GABRA5JAK2JAK3BRD4CREBBP
SCHEMBL7409065 0.74 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL5494671 0.69 GABRA5 (0.43) GABRA5CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL5493798 0.69 TNFRSF1A (0.39) GABRA5S1PR1PDE3AFYNMEN1
SCHEMBL5486782 0.68 JAK2 (0.35) JAK2JAK3FOSJUNNFKB1

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 GABRA5 98/4885CYP1A2 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.