SCHEMBL6407875

SCHEMBL6407875

Nc1nc(NC2CCN(S(=O)(=O)c3ccc(N4CC[S+]([O-])CC4)nc3)CC2)sc1C(=O)c1c(F)cccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 9/20 0.45
CCND1 P24385 9/20 0.45
CDK2 P24941 5/20 0.45
CDK1 P06493 2/20 0.45
CCNT1 O60563 7/20 0.43
CDK9 P50750 7/20 0.43
CDK6 Q00534 7/20 0.43
CDK11A Q9UQ88 7/20 0.43
CDK5 Q00535 2/20 0.41
CDK5R1 Q15078 2/20 0.41
KMT2A Q03164 1/20 0.39
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA4 P22748 4/20 0.39
CA7 P43166 4/20 0.39
CA9 Q16790 4/20 0.39
TNF P01375 1/20 0.39
LMNA P02545 1/20 0.39
STAT3 P40763 1/20 0.39

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
SCHEMBL6196651 0.91 CDK4 (0.50) CDK4CCND1CDK2CDK1CCNT1
SCHEMBL6197976 0.90 CDK4 (0.54) CDK4CCND1CDK2CDK1CCNT1
SCHEMBL6199857 0.90 CDK4 (0.48) CDK4CCND1CDK2CDK1CCNT1
SCHEMBL6195308 0.90 CDK5 (0.49) CDK4CCND1CDK2CDK1CCNT1
Hydrochloric Acid SCHEMBL6414236 0.90 CDK4 (0.48) CDK4CCND1CDK2CDK1CCNT1
SCHEMBL6197281 0.88 CDK4 (0.50) CDK4CCND1CDK2CDK1CCNT1
SCHEMBL6196776 0.85 CDK4 (0.49) CDK4CCND1CDK2CDK1CCNT1
SCHEMBL6196820 0.85 CDK4 (0.49) CDK4CCND1CDK2CDK1CCNT1
Trifluoroacetic Acid SCHEMBL6197613 0.85 CDK4 (0.43) CDK4CCND1CDK2CDK1CCNT1
Hydrochloric Acid SCHEMBL6218550 0.85 CDK4 (0.48) CDK4CCND1CDK2CDK1CCNT1

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 61/4885CDK2 6/4885

“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.