SCHEMBL20980374

SCHEMBL20980374

CNC(=O)c1cc2cnc(Nc3ccc(N4CCN(C)CC4)cn3)nc2n1C1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 15/20 0.68
CCND1 P24385 10/20 0.65
CDK6 Q00534 9/20 0.65
CDK2 P24941 3/20 0.65
GAK O14976 1/20 0.65
CCNT1 O60563 1/20 0.65
CCNA2 P20248 1/20 0.65
FECH P22830 1/20 0.65
CCND3 P30281 1/20 0.65
CDK9 P50750 1/20 0.65
CDK16 Q00536 1/20 0.65
MAP3K1 Q13233 1/20 0.65
CAMK2G Q13555 1/20 0.65
CAMK2D Q13557 1/20 0.65
Q6ZSR9 Q6ZSR9 1/20 0.65
PRKD2 Q9BZL6 1/20 0.65
SIK2 Q9H0K1 1/20 0.65
CDK1 P06493 3/20 0.64

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
SCHEMBL29519634 0.91 CDK4 (0.70) CDK4CCND1CDK6CDK2GAK
SCHEMBL1990885 0.90 CDK4 (0.81) CDK4CCND1CDK6CDK2GAK
SCHEMBL303542 0.90 CDK4 (0.80) CDK4CCND1CDK6CDK2GAK
SCHEMBL31121782 0.90 CDK4 (0.80) CDK4CCND1CDK6CDK2GAK
SCHEMBL29507623 0.90 CDK4 (0.80) CDK4CCND1CDK6CDK2GAK
SCHEMBL13493254 0.90 CDK4 (0.72) CDK4CCND1CDK6CDK2GAK
SCHEMBL28719016 0.89 CDK4 (0.83) CDK4CCND1CDK6CDK2GAK
SCHEMBL21036418 0.88 CDK4 (0.85) CDK4CCND1CDK6CDK2GAK
SCHEMBL23713730 0.87 CDK4 (0.64) CDK4CCND1CDK6CDK2GAK
SCHEMBL29519566 0.86 CDK4 (0.83) CDK4CCND1CDK6CDK2GAK

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-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 (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-20190135811-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS TYMP, TYMS, DPYD CDK4 52/4885CCND1 71/4885CDK6 58/4885
US-10829490-B2 Substituted dihydropyrazino[1 ′,2′:1,5]pyrrolo[2,3-d]pyrimidine-based antiproliferative agents MKI67, DPYD, PCNA CDK4 11/4885CCND1 26/4885CDK6 37/4885

“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.