SCHEMBL20959522

SCHEMBL20959522

O=C1NCc2cc3cnc(Cl)nc3n2C12CCCCC2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 20/20 0.38
CDK2 P24941 20/20 0.38
CCNA2 P20248 19/20 0.38
CCNT1 O60563 18/20 0.38
CDK4 P11802 18/20 0.38
CCND1 P24385 18/20 0.38
CDK9 P50750 18/20 0.38
CCND3 P30281 17/20 0.38
CDK6 Q00534 17/20 0.38
CDK1 P06493 16/20 0.38
CDK3 Q00526 15/20 0.38
CDK5R1 Q15078 15/20 0.38
CDK7 P50613 8/20 0.38
CDK5 Q00535 5/20 0.38

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
SCHEMBL26491498 0.85 CCNA2 (0.31) CCNE1CDK2CCNA2CCNT1CDK4
SCHEMBL26490829 0.82 CDK2 (0.38) CCNE1CDK2CCNA2CCNT1CDK4
SCHEMBL24052512 0.80 CCNA2 (0.56) CCNE1CDK2CCNA2CCNT1CDK4
SCHEMBL20959562 0.79 CCNE1 (0.39) CCNE1CDK2CCNA2CCNT1CDK4
SCHEMBL22570067 0.78 CCNE1 (0.38) CCNE1CDK2CCNA2CCNT1CDK4
SCHEMBL24051889 0.75 CCNE1 (0.59) CCNE1CDK2CCNA2CCNT1CDK4
SCHEMBL24051873 0.75 CCNA2 (0.59) CCNE1CDK2CCNA2CCNT1CDK4
SCHEMBL20926996 0.75 CDK2 (0.35) CCNE1CDK2CCNA2CCNT1CDK4
SCHEMBL24052720 0.74 CCNT1 (0.74) CCNE1CDK2CCNA2CCNT1CDK4
SCHEMBL15249224 0.73 CDK2 (0.57) CCNE1CDK2CCNA2CCNT1CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11643416-B2 Substituted 1′,2′-dihydro-3′H-spiro[cyclohexane-1,4′-pyrimido[5′,4′:4,5]pyrrolo[2,1-c][1,2,4]triazin]-3′-ones as cyclin-dependent kinase inhibitors G1 THERAPEUTICS, INC. (US) 2023-05-09 US disclosed
WO-2021236650-A1 CYCLIN-DEPENDENT KINASE INHIBITING COMPOUNDS FOR THE TREATMENT OF MEDICAL DISORDERS G1 THERAPEUTICS, INC. (US) 2021-11-25 WO disclosed
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-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-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
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 (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-20190135811-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS TYMP, TYMS, DPYD CCNE1 118/4885CDK2 35/4885CCNA2 49/4885
US-20210047328-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS TYMP, TYMS, DPYD CCNE1 118/4885CDK2 35/4885CCNA2 49/4885
US-10829490-B2 Substituted dihydropyrazino[1 ′,2′:1,5]pyrrolo[2,3-d]pyrimidine-based antiproliferative agents MKI67, DPYD, PCNA CCNE1 63/4885CDK2 17/4885CCNA2 20/4885
US-11643416-B2 Substituted 1′,2′-dihydro-3′H-spiro[cyclohexane-1,4′-pyrimido[5′,4′:4,5]pyrrolo[2,1-c][1,2,4]triazin]-3′-ones as cyclin-dependent kinase inhibitors CDK2, CCNI, CCNK CCNE1 12/4885CDK2 1/4885CCNA2 13/4885

“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.