SCHEMBL5489309

SCHEMBL5489309

COc1cc2c(cc1OC)C(=O)NCC(=O)N2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
CCNB2 O95067 5/20 0.46
CDK1 P06493 5/20 0.46
CCNB1 P14635 5/20 0.46
GSK3B P49841 5/20 0.46
CDK5 Q00535 5/20 0.46
CDK5R1 Q15078 5/20 0.46
CCNB3 Q8WWL7 5/20 0.46
TLK2 Q86UE8 3/20 0.45
RET P07949 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
TP53 P04637 1/20 0.40
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39

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
SCHEMBL3139488 0.89 CDK2 (0.42) KDM4ECCNB2CDK1CCNB1GSK3B
SCHEMBL15127895 0.80 KDM4E (0.42) KDM4ECCNB2CDK1CCNB1GSK3B
SCHEMBL20698336 0.78 PDE3B (0.51) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL3148940 0.78 PDE3B (0.63) KDM4ECCNB2CDK1CCNB1GSK3B
SCHEMBL25414934 0.77 TSHR (0.40) GAATSHRKMT2ATP53CYP19A1
SCHEMBL29338764 0.77 TSHR (0.40) GAATSHRKMT2ATP53CYP19A1
SCHEMBL19222410 0.77 GRIN2D (0.45) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL28616279 0.76 PDE3B (0.61) KDM4ECCNB2CDK1CCNB1GSK3B
SCHEMBL10200127 0.75 CYP3A4 (0.49) KDM4EGSK3BKMT2ACA1CA2
SCHEMBL3292808 0.75 CCNB2 (0.47) KDM4ECCNB2CDK1CCNB1GSK3B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 2914/4885CCNB2 4254/4885CDK1 1354/4885

“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.