SCHEMBL21709585

SCHEMBL21709585

CC(C)c1ccc(CN2CCN(C(C)C)CC2)c(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.51
DDR1 Q08345 4/20 0.46
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 4/20 0.43
ATM Q13315 3/20 0.43
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 3/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
KCNH2 Q12809 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
GAA P10253 1/20 0.40
TACR1 P25103 2/20 0.39
ABL1 P00519 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
SCHEMBL15371491 0.88 NR1H2 (0.67) NR1H2DDR1ALDH1A1KDM4EATM
SCHEMBL19918059 0.88 NR1H2 (0.52) NR1H2DDR1ALDH1A1KDM4EATM
SCHEMBL21480393 0.86 NR1H2 (0.51) NR1H2DDR1ALDH1A1KDM4EATM
SCHEMBL12426559 0.85 NR1H2 (0.52) NR1H2DDR1ALDH1A1KDM4EATM
SCHEMBL19917862 0.84 NR1H2 (0.48) NR1H2DDR1ALDH1A1KDM4EATM
SCHEMBL29958917 0.84 NR1H2 (0.73) NR1H2DDR1ALDH1A1KDM4EATM
SCHEMBL1408506 0.84 NR1H2 (0.73) NR1H2DDR1ALDH1A1KDM4EATM
SCHEMBL20075993 0.83 POLB (0.64) NR1H2ALDH1A1KDM4EATMPOLB
SCHEMBL9609590 0.83 NR1H2 (0.50) NR1H2DDR1ALDH1A1KDM4EATM
SCHEMBL10268732 0.83 NR1H2 (0.50) NR1H2DDR1ALDH1A1KDM4EATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-13 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-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 NR1H2 3928/4885DDR1 715/4885ALDH1A1 4677/4885

“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.