SCHEMBL19868153

SCHEMBL19868153

CNS(=O)(=O)N1CCC(Nc2ncc3ccc(=O)[nH]c3n2)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 19/20 0.61
▸ CCNE1 P24864 18/20 0.61
▸ CCND1 P24385 12/20 0.61
▸ CDK6 Q00534 12/20 0.61
▸ MAPK8 P45983 1/20 0.54
▸ MAPK9 P45984 1/20 0.54
▸ MAPK10 P53779 1/20 0.54
▸ CCNA2 P20248 1/20 0.50
▸ CDK7 P50613 1/20 0.50
▸ CCNH P51946 1/20 0.50
▸ MNAT1 P51948 1/20 0.50
▸ CCNT1 O60563 2/20 0.48
▸ CDK4 P11802 2/20 0.48
▸ CDK9 P50750 2/20 0.48

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
SCHEMBL19868137 0.89 CCNE1 (0.61) CDK2CCNE1CCND1CDK6MAPK8
SCHEMBL19868160 0.88 CDK2 (0.60) CDK2CCNE1CCND1CDK6MAPK8
SCHEMBL19868272 0.87 CDK2 (0.59) CDK2CCNE1CCND1CDK6MAPK8
SCHEMBL19868271 0.86 MAPK8 (0.53) CDK2CCNE1CCND1CDK6MAPK8
SCHEMBL19868286 0.84 CDK2 (0.57) CDK2CCNE1CCND1CDK6MAPK8
SCHEMBL19868142 0.84 CDK2 (0.60) CDK2CCNE1CCND1CDK6MAPK8
SCHEMBL17910154 0.83 MAPK8 (0.60) CDK2CCNE1CCND1CDK6MAPK8
SCHEMBL19868282 0.83 CDK2 (0.54) CDK2CCNE1CCND1CDK6MAPK8
SCHEMBL19868274 0.83 CDK2 (0.54) CDK2CCNE1CCND1CDK6MAPK8
SCHEMBL19868140 0.83 CCNE1 (0.62) CDK2CCNE1CCND1CDK6CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10233188-B2 CDK2/4/6 inhibitors PFIZER INC. (US) 2019-03-19 — — US disclosed
US-20180044344-A1 CDK2/4/6 Inhibitors PFIZER INC. (US) 2018-02-15 — — 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 (2 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-20180044344-A1 CDK2/4/6 Inhibitors CDK2, CDK6, CDK20 CDK2 1/4885CCNE1 29/4885CCND1 40/4885
US-10233188-B2 CDK2/4/6 inhibitors CDK2, CDK6, CDK20 CDK2 1/4885CCNE1 29/4885CCND1 40/4885

“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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