SCHEMBL17211124

SCHEMBL17211124

Cc1[nH]c2ccccc2c1C1=C(c2ccc(Cl)cc2Cl)C(=O)CC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CDK4 P11802 3/20 0.41
GSK3B P49841 3/20 0.41
LMNA P02545 3/20 0.41
GSK3A P49840 2/20 0.41
CCND1 P24385 2/20 0.41
CDK2 P24941 2/20 0.41
HTT P42858 2/20 0.41
CCNB2 O95067 2/20 0.41
CDK1 P06493 2/20 0.41
CCNB1 P14635 2/20 0.41
CCNB3 Q8WWL7 2/20 0.41
MEN1 O00255 1/20 0.41
RGS12 O14924 1/20 0.41
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL5683160 0.84 GSK3B (0.56) CDK4GSK3BLMNAGSK3ACCND1
SCHEMBL17210881 0.83 CCR6 (0.53) LMNAHTTMEN1CYP1A2MAPT
SCHEMBL15797143 0.82 GSK3B (0.46) CDK4GSK3BLMNAGSK3ACCND1
SCHEMBL17210883 0.82 EIF2AK2 (0.43) CDK4LMNACCND1CDK2HTT
SCHEMBL17210892 0.77 DDX3X (0.48) LMNAHTTMEN1MAPTMAPK1
SCHEMBL17211123 0.77 CCR6 (0.47) LMNAHTTMEN1CYP1A2MAPT
SCHEMBL17210888 0.75 CCR6 (0.48) LMNAHTTMEN1CYP1A2MAPT
SCHEMBL17210889 0.75 CCR6 (0.43) GSK3BLMNAHTTMEN1MAPT
SCHEMBL17210897 0.74 MAPT (0.45) CA1CA2CA4CA6CDK4
SCHEMBL17210887 0.74 MAPT (0.43) GSK3BMEN1MAPTMAPK1KMT2A

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 CA1 206/4885CA2 266/4885CA4 177/4885
US-20150306070-A1 USE OF MALEIMIDE DERIVATIVES FOR PREVENTING AND TREATING LEUKEMIA MCL1, NPM1, FLI1 CA1 243/4885CA2 550/4885CA4 657/4885

“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.