SCHEMBL6407347

SCHEMBL6407347

CN1CCN(S(=O)(=O)N2CCC(Nc3nc(N)c(C(=O)c4c(F)cccc4F)s3)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 15/20 0.58
CCND1 P24385 15/20 0.58
CCNT1 O60563 13/20 0.58
CDK9 P50750 13/20 0.58
CDK6 Q00534 13/20 0.58
CDK11A Q9UQ88 13/20 0.58
CDK2 P24941 5/20 0.51
CDK1 P06493 2/20 0.51
CDK5 Q00535 3/20 0.49
CDK5R1 Q15078 2/20 0.49
CCNA2 P20248 3/20 0.46
LTK P29376 1/20 0.45
CLK2 P49760 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
CDK7 P50613 1/20 0.45
LIMK1 P53667 1/20 0.45
PRKCQ Q04759 1/20 0.45
TAOK1 Q7L7X3 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45

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
SCHEMBL6197032 0.91 CDK4 (0.63) CDK4CCND1CCNT1CDK9CDK6
SCHEMBL3384264 0.89 CDK2 (0.64) CDK4CCND1CCNT1CDK9CDK6
SCHEMBL6198310 0.89 CDK5 (0.54) CDK4CCND1CCNT1CDK9CDK6
SCHEMBL6216994 0.87 CDK4 (0.52) CDK4CCND1CCNT1CDK9CDK6
SCHEMBL6199472 0.87 CDK4 (0.52) CDK4CCND1CCNT1CDK9CDK6
SCHEMBL6196763 0.86 CDK4 (0.52) CDK4CCND1CCNT1CDK9CDK6
SCHEMBL6217937 0.85 CDK4 (0.55) CDK4CCND1CCNT1CDK9CDK6
SCHEMBL6195586 0.85 CDK4 (0.57) CDK4CCND1CCNT1CDK9CDK6
SCHEMBL6198732 0.85 CDK4 (0.57) CDK4CCND1CCNT1CDK9CDK6
Hydrochloric Acid SCHEMBL6249374 0.85 CDK4 (0.54) CDK4CCND1CCNT1CDK9CDK6

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-20050101595-A1 N-containing cycloalkyl-substituted amino-thiazole derivatives and pharmaceutical compositions for inhibiting cell proliferation and methods for their use PFIZER INC. 2005-05-12 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-20050101595-A1 N-containing cycloalkyl-substituted amino-thiazole derivatives and pharmaceutical compositions for inhibiting cell proliferation and methods for their use CCNI, MKI67, TK1 CDK4 78/4885CCND1 61/4885CCNT1 21/4885

“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.