SCHEMBL20959293

SCHEMBL20959293

COC1CCC2(CC1)CN(C(=O)O)C(=O)c1cc3cnc(Nc4ccc(N5CCN(C)CC5)cn4)nc3n12

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 19/20 0.57
CDK4 P11802 16/20 0.57
CCND1 P24385 16/20 0.57
CCNE1 P24864 7/20 0.57
CCNT1 O60563 1/20 0.56
CCND3 P30281 1/20 0.56
CDK9 P50750 1/20 0.56
CDK6 Q00534 1/20 0.56

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
SCHEMBL20959582 1.00 CDK2 (0.57) CDK2CDK4CCND1CCNE1CCNT1
SCHEMBL20980156 0.91 CDK2 (0.54) CDK2CDK4CCND1CCNE1CCNT1
SCHEMBL20980157 0.91 CDK2 (0.54) CDK2CDK4CCND1CCNE1CCNT1
SCHEMBL20959210 0.88 CDK2 (0.60) CDK2CDK4CCND1CCNE1CCNT1
SCHEMBL20980307 0.84 CDK2 (0.81) CDK2CDK4CCND1CCNE1CCNT1
SCHEMBL20959471 0.84 CDK2 (0.81) CDK2CDK4CCND1CCNE1CCNT1
SCHEMBL20980288 0.84 CDK2 (0.81) CDK2CDK4CCND1CCNE1CCNT1
SCHEMBL30990401 0.81 CDK2 (0.64) CDK2CDK4CCND1CCNE1CCNT1
SCHEMBL30990400 0.81 CDK2 (0.64) CDK2CDK4CCND1CCNE1CCNT1
SCHEMBL25948449 0.80 CDK2 (0.74) CDK2CDK4CCND1CCNE1CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3858835-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS G1 Therapeutics, Inc. (US) 2021-08-04 EP disclosed
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.