SCHEMBL24855874

SCHEMBL24855874

CC(C)n1c(=O)ccc2cnc(OS(=O)(=O)C(F)(F)F)nc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 7/20 0.49
CCND1 P24385 7/20 0.49
CCND2 P30279 4/20 0.49
CCND3 P30281 4/20 0.49
CDK2 P24941 4/20 0.44
CCNE1 P24864 3/20 0.44
CCNT1 O60563 2/20 0.44
CDK9 P50750 2/20 0.44
CDK6 Q00534 2/20 0.44
MAPK8 P45983 12/20 0.44
AURKA O14965 1/20 0.43
LIMK1 P53667 1/20 0.43
AURKB Q96GD4 1/20 0.43
MAPK10 P53779 10/20 0.42
MAPK9 P45984 7/20 0.42
CCNA2 P20248 2/20 0.40
CCNB2 O95067 1/20 0.40
CCNE2 O96020 1/20 0.40
CDK1 P06493 1/20 0.40
FGFR1 P11362 1/20 0.40

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
SCHEMBL20710554 0.79 CDK4 (0.54) CDK4CCND1CCND2CCND3CDK2
SCHEMBL23142003 0.72 CDK4 (0.53) CDK4CCND1CCND2CCND3CDK2
SCHEMBL29990571 0.72 CDK4 (0.53) CDK4CCND1CCND2CCND3CDK2
SCHEMBL25463635 0.71 CDK4 (0.58) CDK4CCND1CCND2CCND3CDK2
SCHEMBL24669972 0.71 CDK4 (0.69) CDK4CCND1CCND2CCND3CDK2
SCHEMBL4825502 0.70 CDK4 (0.57) CDK4CCND1CCND2CCND3CDK2
SCHEMBL24856132 0.70 CDK4 (0.57) CDK4CCND1CCND2CCND3CDK2
SCHEMBL5266289 0.70 CDK4 (0.57) CDK4CCND1CCND2CCND3CDK2
SCHEMBL31267089 0.69 ATM (0.32)
SCHEMBL30872647 0.68 CDK2 (0.50) CDK4CCND1CCND3CDK2CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230000871-A1 GEM-DISUBSTITUTED HETEROCYCLIC COMPOUNDS AND THEIR USE AS IDH INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2023-01-05 US disclosed
CN-115038700-A Gem disubstituted heterocyclic compounds and their use as IDH inhibitors 内尔维亚诺医疗科学公司 2022-09-09 CN 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-20230000871-A1 GEM-DISUBSTITUTED HETEROCYCLIC COMPOUNDS AND THEIR USE AS IDH INHIBITORS IDH1, IDH2, IDH3A CDK4 444/4885CCND1 1448/4885CCND2 1009/4885

“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.