SCHEMBL6407364

SCHEMBL6407364

Nc1nc(NC2CCN(S(=O)(=O)CCCN3CCCC3)CC2)sc1C(=O)c1c(F)cccc1F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 3/20 0.47
CDK5R1 Q15078 3/20 0.47
CDK4 P11802 8/20 0.46
CCND1 P24385 8/20 0.46
CCNT1 O60563 6/20 0.46
CDK9 P50750 6/20 0.46
CDK6 Q00534 6/20 0.46
CDK11A Q9UQ88 6/20 0.46
CDK2 P24941 7/20 0.45
CDK1 P06493 2/20 0.45
CCNA2 P20248 5/20 0.44
SMYD3 Q9H7B4 1/20 0.44
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
IKBKB O14920 1/20 0.36
HTR4 Q13639 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
SCHEMBL6196586 0.99 CDK5 (0.47) CDK5CDK5R1CDK4CCND1CCNT1
SCHEMBL6198767 0.98 CDK5 (0.47) CDK5CDK5R1CDK4CCND1CCNT1
SCHEMBL6197452 0.95 CDK4 (0.47) CDK5CDK5R1CDK4CCND1CCNT1
SCHEMBL6195363 0.94 CDK5 (0.46) CDK5CDK5R1CDK4CCND1CCNT1
SCHEMBL6199472 0.94 CDK4 (0.52) CDK5CDK5R1CDK4CCND1CCNT1
SCHEMBL6195431 0.93 CDK4 (0.46) CDK5CDK5R1CDK4CCND1CCNT1
SCHEMBL6200133 0.93 CDK4 (0.46) CDK5CDK5R1CDK4CCND1CCNT1
SCHEMBL6415897 0.93 CDK4 (0.46) CDK5CDK5R1CDK4CCND1CCNT1
SCHEMBL6200037 0.93 CDK5 (0.47) CDK5CDK5R1CDK4CCND1CCNT1
SCHEMBL6408754 0.91 CDK5 (0.44) CDK5CDK5R1CDK4CCND1CCNT1

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 CDK5 10/4885CDK5R1 125/4885CDK4 78/4885

“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.