SCHEMBL20980307

SCHEMBL20980307

CO[C@H]1CC[C@]2(CC1)CNC(=O)c1cc3cnc(Nc4ccc(N5CCN(C)CC5)cn4)nc3n12

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.81
CDK4 P11802 17/20 0.81
CCND1 P24385 17/20 0.81
CCNE1 P24864 9/20 0.81
CCND3 P30281 3/20 0.80
CDK6 Q00534 3/20 0.80
CCNT1 O60563 2/20 0.80
CDK9 P50750 2/20 0.80
TTK P33981 1/20 0.67
FLT3 P36888 1/20 0.67
CCNH P51946 1/20 0.67
NEK10 Q6ZWH5 1/20 0.67
ULK2 Q8IYT8 1/20 0.67
NUAK2 Q9H093 1/20 0.67

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
SCHEMBL20980288 1.00 CDK2 (0.81) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL20959471 1.00 CDK2 (0.81) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL4549924 0.90 CDK2 (1.00) CDK2CDK4CCND1CCNE1CCND3
Trilaciclib SCHEMBL29356370 0.89 CDK2 (1.00) CDK2CDK4CCND1CCNE1CCND3
Trilaciclib SCHEMBL10082028 0.89 CDK2 (1.00) CDK2CDK4CCND1CCNE1CCND3
Trilaciclib SCHEMBL29763763 0.89 CDK2 (1.00) CDK2CDK4CCND1CCNE1CCND3
Trilaciclib SCHEMBL29514690 0.88 CDK2 (0.98) CDK2CDK4CCND1CCNE1CCND3
Trilaciclib SCHEMBL29375833 0.88 CDK2 (0.98) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL20959535 0.87 CDK2 (0.86) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL20959293 0.84 CDK2 (0.57) CDK2CDK4CCND1CCNE1CCND3

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
US-20210047328-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2021-02-18 US disclosed
US-10829490-B2 Substituted dihydropyrazino[1 ′,2′:1,5]pyrrolo[2,3-d]pyrimidine-based antiproliferative agents GI Therapeutics, Inc. (US) 2020-11-10 US disclosed
US-20190135811-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2019-05-09 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 (3 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-20190135811-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS TYMP, TYMS, DPYD CDK2 35/4885CDK4 52/4885CCND1 71/4885
US-20210047328-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS TYMP, TYMS, DPYD CDK2 35/4885CDK4 52/4885CCND1 71/4885
US-10829490-B2 Substituted dihydropyrazino[1 ′,2′:1,5]pyrrolo[2,3-d]pyrimidine-based antiproliferative agents MKI67, DPYD, PCNA CDK2 17/4885CDK4 11/4885CCND1 26/4885

“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.