SCHEMBL3708958

SCHEMBL3708958

CC(C)c1nc2ccc(F)cc2c(=O)n1N

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 3/20 0.44
IDO2 Q6ZQW0 3/20 0.44
IDO1 P14902 2/20 0.44
PIK3CD O00329 7/20 0.42
PIK3R1 P27986 3/20 0.42
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
CYP2D6 P10635 2/20 0.41
MPO P05164 1/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
POLB P06746 1/20 0.41
CASP3 P42574 1/20 0.40
PIK3CG P48736 2/20 0.40
PIK3C3 Q8NEB9 1/20 0.40
PTGS2 P35354 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTR3A P46098 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
SCHEMBL3701531 0.82 MEN1 (0.46) LMNARECQLCYP2D6KDM4E
SCHEMBL15538380 0.80 KDM4E (0.61) TDO2IDO2IDO1LMNAMPO
SCHEMBL19576287 0.79 PIK3CD (0.57) TDO2IDO2IDO1PIK3CDPIK3R1
SCHEMBL3705568 0.78 KDM4E (0.63) LMNARECQLPOLBPTGS2KDM4E
SCHEMBL20067790 0.77 PIK3CD (0.50) TDO2IDO2IDO1PIK3CDPIK3R1
SCHEMBL12885786 0.74 PIK3CD (0.55) TDO2IDO2IDO1PIK3CDPIK3R1
SCHEMBL15815739 0.74 PIK3CD (0.57) TDO2IDO2IDO1PIK3CDPIK3R1
SCHEMBL15815737 0.74 PIK3CD (0.57) TDO2IDO2IDO1PIK3CDPIK3R1
SCHEMBL15813106 0.74 PIK3CD (0.55) TDO2IDO2IDO1PIK3CDPIK3R1
SCHEMBL20067856 0.73 PIK3CD (0.61) TDO2IDO2PIK3CDPIK3R1PIK3CA

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
US-8609674-B2 Potassium channel modulators ABBVIE INC. (US) 2013-12-17 US disclosed
WO-2012067824-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122890-A1 Potassium Channel Modulators ABBOTT LABORATORIES (US) 2012-05-17 US 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-20120122890-A1 Potassium Channel Modulators KCNQ1, KCNQ2, KCNQ3 TDO2 4481/4885IDO2 4395/4885IDO1 4004/4885

“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.