SCHEMBL17210889

SCHEMBL17210889

Cc1[nH]c2ccccc2c1C1=C(c2ccccc2C(F)(F)F)C(=O)CC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
KIF11 P52732 1/20 0.43
KDM4E B2RXH2 4/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
IMPDH2 P12268 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTT P42858 1/20 0.37
RAD52 P43351 1/20 0.37
HTR6 P50406 1/20 0.37
PDE10A Q9Y233 1/20 0.37
STK10 O94804 3/20 0.37
SLK Q9H2G2 3/20 0.37

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
SCHEMBL17210881 0.84 CCR6 (0.53) CCR6HKDC1KDM4EMAPTKMT2A
SCHEMBL19217019 0.84 CAMK2D (0.51) CCR6HKDC1STK10SLKCHEK1
SCHEMBL15797048 0.82 GSK3B (0.49) CCR6HKDC1KIF11IMPDH2PDE10A
SCHEMBL17210892 0.78 DDX3X (0.48) CCR6HKDC1KDM4EMAPTKMT2A
SCHEMBL17211123 0.78 CCR6 (0.47) CCR6HKDC1KIF11KDM4EMAPT
SCHEMBL17210888 0.76 CCR6 (0.48) CCR6HKDC1KDM4EMAPTKMT2A
SCHEMBL17210884 0.76 GSK3B (0.50) CCR6HKDC1KDM4EMAPTKMT2A
SCHEMBL17211124 0.75 CA1 (0.42) CCR6HKDC1KDM4EMAPTKMT2A
SCHEMBL17210894 0.73 IMPDH2 (0.65) CCR6HKDC1KDM4EMAPTKMT2A
SCHEMBL17210897 0.73 MAPT (0.45) CCR6HKDC1KDM4EMAPTKMT2A

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-9993463-B2 Use of maleimide derivatives for preventing and treating cancer CENTOGENE AG (DE) 2018-06-12 US disclosed
US-9724331-B2 Use of maleimide derivatives for preventing and treating leukemia CENTOGENE AG (DE) 2017-08-08 US disclosed
US-20150313882-A1 USE OF MALEIMIDE DERIVATIVES FOR PREVENTING AND TREATING CANCER CENTOGENE AG (DE) 2015-11-05 US disclosed
US-20150306070-A1 USE OF MALEIMIDE DERIVATIVES FOR PREVENTING AND TREATING LEUKEMIA CENTOGENE AG (DE) 2015-10-29 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 (2 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-20150313882-A1 USE OF MALEIMIDE DERIVATIVES FOR PREVENTING AND TREATING CANCER MGMT, CBR3, IDH3A CCR6 2089/4885HKDC1 1824/4885KIF11 2119/4885
US-20150306070-A1 USE OF MALEIMIDE DERIVATIVES FOR PREVENTING AND TREATING LEUKEMIA MCL1, NPM1, FLI1 CCR6 1044/4885HKDC1 3582/4885KIF11 2716/4885

“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.