SCHEMBL5489956

SCHEMBL5489956

CCCC1C(=O)NN=C(c2cc3ccccc3s2)c2cc(OCC)c(OCC)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
TNIK Q9UKE5 2/20 0.32
GABRA5 P31644 1/20 0.32
FYN P06241 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
TNFRSF1A P19438 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
FOS P01100 1/20 0.31
JUN P05412 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31

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
SCHEMBL5486198 0.92 JAK2 (0.36) JAK2JAK3PPARGPPARAGABRA5
SCHEMBL5485209 0.83 JAK2 (0.34) JAK2JAK3TNIKGABRA5FYN
SCHEMBL5486782 0.77 JAK2 (0.35) JAK2JAK3FYNTNFRSF1AFOS
SCHEMBL5488765 0.77 GABRA5 (0.43) JAK2JAK3GABRA5FYNTNFRSF1A
SCHEMBL5486201 0.73 DRD2 (0.34) TNIKMAPT
SCHEMBL5493513 0.67 GABRA5 (0.41) JAK2JAK3GABRA5FYNPOLB
SCHEMBL5491350 0.65 GABRA5 (0.40) JAK2JAK3GABRA5FYNPOLB
SCHEMBL7413954 0.65 CYP1A2 (0.56) GABRA5FYNMAPTTNFRSF1ABRD4
SCHEMBL5439697 0.64 PDE4A (0.44) MAPTPDE3BPDE3A
SCHEMBL5424906 0.64 PDE4A (0.44) MAPTPDE3BPDE3A

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 6 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
WO-2002088096-A1 COMPOUNDS INHIBITING CYCLIC NUCLEOTIDE PHOSPHODIESTERASES, PREPARATION AND USES THEREOF NEURO3D (FR) 2002-11-07 WO 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 3122/4885PPARG 830/4885

“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.