SCHEMBL6409070

SCHEMBL6409070

Nc1nc(NC2CCN(S(=O)(=O)c3ccc(-c4ccncc4)nc3)CC2)sc1C(=O)c1c(F)cccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.46
CDK4 P11802 6/20 0.46
CCND1 P24385 6/20 0.46
CDK1 P06493 2/20 0.46
CCNT1 O60563 4/20 0.43
CDK9 P50750 4/20 0.43
CDK6 Q00534 4/20 0.43
CDK11A Q9UQ88 4/20 0.43
CDK5 Q00535 4/20 0.42
CDK5R1 Q15078 4/20 0.42
CCNA2 P20248 5/20 0.42
RAB9A P51151 1/20 0.37
IKBKB O14920 3/20 0.36
CHUK O15111 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
CCR6 P51684 1/20 0.36

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
SCHEMBL6196326 0.93 CDK2 (0.47) CDK2CDK4CCND1CDK1CCNT1
Hydrochloric Acid SCHEMBL6408432 0.93 CDK2 (0.47) CDK2CDK4CCND1CDK1CCNT1
SCHEMBL6197281 0.88 CDK4 (0.50) CDK2CDK4CCND1CDK1CCNT1
Hydrochloric Acid SCHEMBL6416884 0.87 CDK2 (0.43) CDK2CDK4CCND1CDK1CCNT1
SCHEMBL6196820 0.87 CDK4 (0.49) CDK2CDK4CCND1CDK1CCNT1
SCHEMBL6196776 0.87 CDK4 (0.49) CDK2CDK4CCND1CDK1CCNT1
SCHEMBL6197196 0.86 CDK2 (0.53) CDK2CDK4CCND1CDK1CCNT1
Hydrochloric Acid SCHEMBL6218550 0.86 CDK4 (0.48) CDK2CDK4CCND1CDK1CCNT1
SCHEMBL6199682 0.85 CDK2 (0.49) CDK2CDK4CCND1CDK1CCNT1
SCHEMBL6194364 0.85 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 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 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.