SCHEMBL17210883

SCHEMBL17210883

Cc1[nH]c2ccccc2c1C1=C(c2cccc(Cl)c2)C(=O)CC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 1/20 0.43
TDO2 P48775 1/20 0.43
PTGS2 P35354 1/20 0.41
IMPDH2 P12268 1/20 0.41
LMNA P02545 1/20 0.40
CCR6 P51684 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
GAA P10253 4/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
DDX3X O00571 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PADI4 Q9UM07 1/20 0.39
CCNE2 O96020 1/20 0.39
CDK4 P11802 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
SCHEMBL17210892 0.86 DDX3X (0.48) PTGS2IMPDH2LMNACCR6HKDC1
SCHEMBL17210881 0.84 CCR6 (0.53) IMPDH2LMNACCR6HKDC1GAA
SCHEMBL19217082 0.84 CAMK2D (0.46) EIF2AK2PTGS2IMPDH2CCNE2CDK4
SCHEMBL15797140 0.82 GSK3B (0.47) EIF2AK2PTGS2IMPDH2LMNACCR6
SCHEMBL17211124 0.82 CA1 (0.42) EIF2AK2IMPDH2LMNACCR6HKDC1
SCHEMBL17210895 0.81 PDE9A (0.51) IMPDH2LMNACCR6HKDC1GAA
SCHEMBL17211123 0.80 CCR6 (0.47) IMPDH2LMNACCR6HKDC1GAA
SCHEMBL17210894 0.79 IMPDH2 (0.65) IMPDH2LMNACCR6HKDC1MEN1
SCHEMBL17210884 0.79 GSK3B (0.50) EIF2AK2PTGS2IMPDH2LMNACCR6
SCHEMBL19217081 0.78 ROCK2 (0.40) EIF2AK2TDO2PTGS2IMPDH2LMNA

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 EIF2AK2 4465/4885TDO2 767/4885PTGS2 2655/4885
US-20150306070-A1 USE OF MALEIMIDE DERIVATIVES FOR PREVENTING AND TREATING LEUKEMIA MCL1, NPM1, FLI1 EIF2AK2 3849/4885TDO2 1161/4885PTGS2 3075/4885

“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.