SCHEMBL2030754

SCHEMBL2030754

CCCS(=O)(=O)N1CCC(NC(=O)c2n[nH]cc2NC(=O)c2c(Cl)cccc2Cl)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CDK14 O94921 12/20 0.49
▸ CCNY Q8ND76 11/20 0.49
▸ SLC6A9 P48067 4/20 0.47
▸ GAA P10253 1/20 0.44
▸ CCNT1 O60563 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ CDK5 Q00535 1/20 0.43
▸ CDK5R1 Q15078 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42

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
SCHEMBL2031219 0.95 CDK14 (0.51) CDK14CCNYCCNT1CDK9CDK5
SCHEMBL8262598 0.92 CDK14 (0.46) CDK14CCNYCCNT1CDK9CDK5
SCHEMBL8261496 0.92 CDK14 (0.46) CDK14CCNYCCNT1CDK9CDK5
SCHEMBL13993668 0.91 CDK14 (0.46) CDK14CCNYCCNT1CDK9CDK5
SCHEMBL5007794 0.91 CDK14 (0.47) CDK14CCNY
SCHEMBL8262073 0.90 CDK14 (0.47) CDK14CCNYCCNT1CDK9CDK5
SCHEMBL13993684 0.89 CDK14 (0.45) CDK14CCNY
SCHEMBL13993667 0.89 CDK14 (0.46) CDK14CCNYCCNT1CDK9CDK5
SCHEMBL8263071 0.89 CDK14 (0.44) CDK14CCNYCCNT1CDK9CDK5
SCHEMBL13993657 0.89 CDK14 (0.44) CDK14CCNYCCNT1CDK9CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110159111-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2011-06-30 — — US disclosed
US-20090318430-A1 MEDICAL USE OF CYCLIN DEPENDENT KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2009-12-24 — — US disclosed
US-20090318430-A1 MEDICAL USE OF CYCLIN DEPENDENT KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2009-12-24 — — US disclosed
US-20090142337-A1 Pharmaceutical Combinations of Diazole Derivatives for Cancer Treatment ASTEX THERAPEUTICS LIMITED (GB) 2009-06-04 — — US disclosed
US-20090142337-A1 Pharmaceutical Combinations of Diazole Derivatives for Cancer Treatment ASTEX THERAPEUTICS LIMITED (GB) 2009-06-04 — — US disclosed
US-20080139620-A1 Pyrazole Derivatives For The Inhibition Of Cdk's And Gsk's ASTEX THERAPEUTICS LIMITED (GB) 2008-06-12 — — US disclosed
US-20080139620-A1 Pyrazole Derivatives For The Inhibition Of Cdk's And Gsk's ASTEX THERAPEUTICS LIMITED (GB) 2008-06-12 — — 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 (4 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-20090318430-A1 MEDICAL USE OF CYCLIN DEPENDENT KINASES INHIBITORS CDK1, CCNO, CDK14 CDK14 3/4885CCNY 17/4885SLC6A9 3840/4885
US-20080139620-A1 Pyrazole Derivatives For The Inhibition Of Cdk's And Gsk's CDK1, CDK3, CDK2 CDK14 18/4885CCNY 53/4885SLC6A9 4192/4885
US-20090142337-A1 Pharmaceutical Combinations of Diazole Derivatives for Cancer Treatment CDK1, CDK4, CDK3 CDK14 18/4885CCNY 48/4885SLC6A9 3610/4885
US-20110159111-A1 PHARMACEUTICAL COMBINATIONS SLC10A1, CYP11B2, SDHB CDK14 1723/4885CCNY 748/4885SLC6A9 2426/4885

“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.

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