SCHEMBL6410478

SCHEMBL6410478

CN1CCC[C@@H](COc2ccc(S(=O)(=O)N3CCC(Nc4nc(N)c(C(=O)c5c(F)cccc5F)s4)CC3)cn2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 12/20 0.43
CCND1 P24385 12/20 0.43
CDK9 P50750 9/20 0.43
CDK6 Q00534 9/20 0.43
CDK11A Q9UQ88 9/20 0.43
CCNT1 O60563 8/20 0.43
CDK2 P24941 7/20 0.43
CDK1 P06493 4/20 0.43
CDK5 Q00535 3/20 0.38
CDK5R1 Q15078 2/20 0.38
CCNA2 P20248 3/20 0.38
ATM Q13315 1/20 0.37
CCR6 P51684 2/20 0.36
CASK O14936 1/20 0.35
ROCK2 O75116 1/20 0.35
CDKL5 O76039 1/20 0.35
STK10 O94804 1/20 0.35
CDK14 O94921 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35

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
SCHEMBL6410474 1.00 CDK4 (0.43) CDK4CCND1CDK9CDK6CDK11A
SCHEMBL6193999 1.00 CDK4 (0.43) CDK4CCND1CDK9CDK6CDK11A
Hydrochloric Acid SCHEMBL6193893 0.99 CDK4 (0.43) CDK4CCND1CDK9CDK6CDK11A
SCHEMBL6218893 0.90 CDK4 (0.43) CDK4CCND1CDK9CDK6CDK11A
Hydrochloric Acid SCHEMBL6407272 0.89 CDK4 (0.43) CDK4CCND1CDK9CDK6CDK11A
Hydrochloric Acid SCHEMBL6410681 0.89 CDK4 (0.43) CDK4CCND1CDK9CDK6CDK11A
Hydrochloric Acid SCHEMBL6197992 0.89 CDK4 (0.43) CDK4CCND1CDK9CDK6CDK11A
SCHEMBL6197860 0.88 CDK2 (0.50) CDK4CCND1CDK9CDK6CDK11A
Hydrochloric Acid SCHEMBL6408259 0.87 CDK4 (0.45) CDK4CCND1CDK9CDK6CDK11A
Hydrochloric Acid SCHEMBL6407494 0.87 CDK4 (0.45) CDK4CCND1CDK9CDK6CDK11A

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 61/4885CDK9 26/4885

“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.