SCHEMBL6199682

SCHEMBL6199682

CNc1ccc(S(=O)(=O)N2CCC(Nc3nc(N)c(C(=O)c4c(F)cccc4F)s3)CC2)cn1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.49
CDK4 P11802 6/20 0.49
CCND1 P24385 6/20 0.49
CDK1 P06493 2/20 0.49
CCNT1 O60563 4/20 0.46
CDK9 P50750 4/20 0.46
CDK6 Q00534 4/20 0.46
CDK11A Q9UQ88 4/20 0.46
CDK5 Q00535 2/20 0.44
CDK5R1 Q15078 2/20 0.44
CCR6 P51684 7/20 0.42
CCNA2 P20248 5/20 0.41

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
SCHEMBL6200307 0.91 CDK4 (0.46) CDK2CDK4CCND1CDK1CCNT1
SCHEMBL6197281 0.90 CDK4 (0.50) CDK2CDK4CCND1CDK1CCNT1
SCHEMBL6199176 0.89 CDK2 (0.45) CDK2CDK4CCND1CDK1CCNT1
SCHEMBL6196776 0.89 CDK4 (0.49) CDK2CDK4CCND1CDK1CCNT1
SCHEMBL6196820 0.89 CDK4 (0.49) CDK2CDK4CCND1CDK1CCNT1
SCHEMBL6195868 0.88 CDK4 (0.45) CDK2CDK4CCND1CDK1CCNT1
SCHEMBL6407842 0.88 CDK4 (0.51) CDK2CDK4CCND1CDK1CCNT1
SCHEMBL6197860 0.88 CDK2 (0.50) CDK2CDK4CCND1CDK1CCNT1
Hydrochloric Acid SCHEMBL6218550 0.88 CDK4 (0.48) CDK2CDK4CCND1CDK1CCNT1
SCHEMBL6194364 0.87 CDK4 (0.50) CDK2CDK4CCND1CDK1CCNT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1597256-A1 N-HETEROCYCLYL-SUBSTITUTED AMINO-THIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2005-11-23 EP disclosed
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
WO-2004074283-A1 N-HETEROCYCLYL-SUBSTITUTED AMINO-THIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2004-09-02 WO 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 CDK2 6/4885CDK4 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.