SCHEMBL875672

SCHEMBL875672

O=c1cc(C2CC2)nc2c(C(F)(F)F)cccn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.47
PIK3CB P42338 3/20 0.47
PIK3CG P48736 1/20 0.44
USP7 Q93009 1/20 0.40
NR1H3 Q13133 6/20 0.37
NR1H2 P55055 4/20 0.37
PIK3CA P42336 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GLA P06280 1/20 0.36
MPI P34949 1/20 0.36
RBP4 P02753 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL876018 0.79 PIK3CD (0.37) PIK3CDPIK3CBPIK3CGPIK3CAKDM4E
SCHEMBL875495 0.77 USP7 (0.49) USP7NR1H3NR1H2KDM4EALDH1A1
SCHEMBL875798 0.77 USP7 (0.43) USP7NR1H3NR1H2KDM4EALDH1A1
SCHEMBL875476 0.75 USP7 (0.44) USP7NR1H3NR1H2BRD4TRPA1
SCHEMBL15767202 0.74 PDE10A (0.47) PIK3CDPIK3CBPIK3CGUSP7PIK3CA
SCHEMBL17802262 0.74 KDM4E (0.56) PIK3CDPIK3CBPIK3CAKDM4EALDH1A1
SCHEMBL15766422 0.72 USP7 (0.41) USP7NR1H3NR1H2RBP4BRD4
SCHEMBL14685164 0.72 BRD4 (0.42) USP7NR1H3NR1H2GAAMEN1
SCHEMBL875617 0.70 USP7 (0.36) USP7NR1H3NR1H2ALDH1A1BRD4
SCHEMBL26476495 0.69 ADORA3 (0.46) USP7NR1H3NR1H2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619202-A1 PYRIDMIDONES FOR TREATMENT OF POTASSIUM CHANNEL RELATED DISEASES Pfizer Inc (US) 2013-07-31 EP disclosed
US-20130184294-A1 Pyrimidones for Treatment of Potassium Channel Related Diseases PFIZER INC. (US) 2013-07-18 US disclosed
WO-2012038850-A1 PYRIDMIDONES FOR TREATMENT OF POTASSIUM CHANNEL RELATED DISEASES PFIZER INC. (US) 2012-03-29 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-20130184294-A1 Pyrimidones for Treatment of Potassium Channel Related Diseases KCNQ5, KCNQ1, KCNQ3 PIK3CD 908/4885PIK3CB 1377/4885PIK3CG 1503/4885

“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.