SCHEMBL6408288

SCHEMBL6408288

CN1CCC[C@H](COc2ccc(S(=O)(=O)N(c3nc(N)c(C(=O)c4c(F)cccc4F)s3)C3CCNCC3)cn2)C1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.37
CDK4 P11802 5/20 0.35
CCND1 P24385 5/20 0.35
CCNT1 O60563 3/20 0.35
CDK9 P50750 3/20 0.35
CDK6 Q00534 3/20 0.35
CDK11A Q9UQ88 3/20 0.35
PIM1 P11309 2/20 0.35
PIM3 Q86V86 2/20 0.35
PIM2 Q9P1W9 2/20 0.35
CDK1 P06493 2/20 0.32
CDK2 P24941 2/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
KDM1A O60341 2/20 0.32
HCRTR2 O43614 3/20 0.31
HCRTR1 O43613 2/20 0.31
IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL6199289 0.80 CDK5 (0.37) CDK4CCND1CCNT1CDK9CDK6
SCHEMBL6410474 0.78 CDK4 (0.43) ATMCDK4CCND1CCNT1CDK9
SCHEMBL6410478 0.78 CDK4 (0.43) ATMCDK4CCND1CCNT1CDK9
SCHEMBL6193999 0.78 CDK4 (0.43) ATMCDK4CCND1CCNT1CDK9
Hydrochloric Acid SCHEMBL6193893 0.78 CDK4 (0.43) ATMCDK4CCND1CCNT1CDK9
SCHEMBL6409882 0.77 CDK5 (0.34) CDK4CCND1CCNT1CDK9CDK6
SCHEMBL3384258 0.75 CDK5 (0.44) CDK4CCND1CCNT1CDK9CDK6
SCHEMBL6196519 0.71 CDK5 (0.42) CDK4CCND1CCNT1CDK9CDK6
SCHEMBL6195580 0.71 CDK5 (0.40) CDK4CCND1CCNT1CDK9CDK6
SCHEMBL6198783 0.68 CDK5 (0.45) 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 ATM 481/4885CDK4 78/4885CCND1 61/4885

“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.