SCHEMBL5486782

SCHEMBL5486782

CCOc1cc2c(cc1OCC)C(CC)C(=O)N(C)N=C2c1cc2ccccc2s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
USP2 O75604 1/20 0.34
GLA P06280 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
FYN P06241 1/20 0.34
FOS P01100 1/20 0.33
JUN P05412 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SSTR5 P35346 2/20 0.33
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
PGK1 P00558 1/20 0.32
ERN1 O75460 1/20 0.32
TNFRSF1A P19438 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL5485209 0.92 JAK2 (0.34) JAK2JAK3USP2GLAKDM4E
SCHEMBL5486198 0.82 JAK2 (0.36) JAK2JAK3USP2GLAFYN
SCHEMBL5493513 0.78 GABRA5 (0.41) JAK2JAK3FYNFOSJUN
SCHEMBL5489956 0.77 JAK2 (0.35) JAK2JAK3FYNFOSJUN
SCHEMBL6626686 0.76 MDM2 (0.33) KDM4ENPC1RAB9A
SCHEMBL5491350 0.72 GABRA5 (0.40) JAK2JAK3FYNFOSJUN
SCHEMBL5494671 0.68 GABRA5 (0.43) GLAKDM4ENPC1RAB9AFYN
SCHEMBL5488765 0.68 GABRA5 (0.43) JAK2JAK3FYNFOSJUN
SCHEMBL5486201 0.65 DRD2 (0.34) KDM4EPGK1ERN1ALDH1A1L3MBTL1
SCHEMBL6442363 0.63 S1PR1 (0.39) GLAKDM4EFYNPGK1ERN1

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 JAK2 2613/4885JAK3 3122/4885USP2 2781/4885

“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.