SCHEMBL5493513

SCHEMBL5493513

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.41
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
FOS P01100 1/20 0.35
JUN P05412 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
MAPT P10636 3/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ATM Q13315 1/20 0.34
ACHE P22303 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
TP53 P04637 3/20 0.33
MDM2 Q00987 2/20 0.33
HTT P42858 1/20 0.33
FYN P06241 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
SCHEMBL5491350 0.90 GABRA5 (0.40) GABRA5JAK2JAK3FOSJUN
SCHEMBL5494671 0.89 GABRA5 (0.43) GABRA5MAPTLMNAMEN1KMT2A
SCHEMBL5488765 0.82 GABRA5 (0.43) GABRA5JAK2JAK3FOSJUN
SCHEMBL5486782 0.78 JAK2 (0.35) JAK2JAK3FOSJUNNFKB1
SCHEMBL5485209 0.77 JAK2 (0.34) GABRA5JAK2JAK3FOSJUN
SCHEMBL5490129 0.75 MDM2 (0.47) MAPTPOLBLMNAACHETP53
SCHEMBL7413954 0.69 CYP1A2 (0.56) GABRA5MAPTLMNAMEN1KMT2A
SCHEMBL5489993 0.69 CA1 (0.39) MAPTLMNAMEN1KMT2AACHE
SCHEMBL5489293 0.69 MAPK10 (0.48) LMNAKMT2AACHETP53BRD4
SCHEMBL5486198 0.68 JAK2 (0.36) GABRA5JAK2JAK3FOSJUN

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 98/4885JAK2 2613/4885JAK3 3122/4885

“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.