SCHEMBL6407196

SCHEMBL6407196

CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(Nc3nc(N)c(C(=O)c4c(F)cccc4F)s3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 7/20 0.52
CCND1 P24385 7/20 0.52
CCNT1 O60563 5/20 0.52
CDK9 P50750 5/20 0.52
CDK6 Q00534 5/20 0.52
CDK11A Q9UQ88 5/20 0.52
CDK2 P24941 7/20 0.51
CDK1 P06493 3/20 0.51
CDK5 Q00535 2/20 0.48
CDK5R1 Q15078 2/20 0.48
CCNA2 P20248 5/20 0.45
ALDH1A1 P00352 2/20 0.41
EPHX2 P34913 1/20 0.41
CCNB2 O95067 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
CCR6 P51684 1/20 0.40
HPGD P15428 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
SCHEMBL6199575 0.93 CDK4 (0.52) CDK4CCND1CCNT1CDK9CDK6
SCHEMBL6193981 0.93 CDK5 (0.52) CDK4CCND1CCNT1CDK9CDK6
SCHEMBL6414076 0.91 ALDH1A1 (0.52) CDK4CCND1CCNT1CDK9CDK6
SCHEMBL6197576 0.91 CDK4 (0.50) CDK4CCND1CCNT1CDK9CDK6
SCHEMBL6408193 0.90 CDK4 (0.49) CDK4CCND1CCNT1CDK9CDK6
SCHEMBL6196608 0.90 CDK4 (0.53) CDK4CCND1CCNT1CDK9CDK6
SCHEMBL3384264 0.89 CDK2 (0.64) CDK4CCND1CCNT1CDK9CDK6
SCHEMBL6193990 0.89 CDK4 (0.48) CDK4CCND1CCNT1CDK9CDK6
SCHEMBL6197642 0.89 CDK4 (0.50) CDK4CCND1CCNT1CDK9CDK6
SCHEMBL6197281 0.88 CDK4 (0.50) 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.