SCHEMBL20927005

SCHEMBL20927005

CN1CCN(c2ccc(Nc3ncc4cc5n(c4n3)CCNC5=S)nc2)CC1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 11/20 0.81
CCND1 P24385 11/20 0.81
CDK2 P24941 16/20 0.61
CCNE1 P24864 13/20 0.61
CCNT1 O60563 3/20 0.60
CCND3 P30281 3/20 0.60
CDK9 P50750 3/20 0.60
CDK6 Q00534 3/20 0.60
CDK7 P50613 1/20 0.53
CCNH P51946 1/20 0.53
MNAT1 P51948 1/20 0.53
CDK5 Q00535 1/20 0.53
CDK5R1 Q15078 1/20 0.53

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
SCHEMBL20926933 0.91 CDK4 (0.67) CDK4CCND1CDK2CCNE1CCNT1
SCHEMBL20926973 0.90 CDK4 (0.80) CDK4CCND1CDK2CCNE1CCND3
SCHEMBL15249233 0.90 CDK4 (1.00) CDK4CCND1CDK2CCNE1CCNT1
SCHEMBL20926981 0.83 CDK2 (0.67) CDK4CCND1CDK2CCNE1CCNT1
SCHEMBL27272867 0.83 CDK4 (0.86) CDK4CCND1CDK2CCNE1CCNT1
SCHEMBL20926999 0.81 CDK4 (0.69) CDK4CCND1CDK2CCNE1CCNT1
SCHEMBL20842272 0.81 CDK4 (0.75) CDK4CCND1CDK2CCNE1CCNT1
SCHEMBL22280184 0.81 CDK2 (0.81) CDK4CCND1CDK2CCNE1CCNT1
SCHEMBL20926924 0.80 CDK4 (0.53) CDK4CCND1CDK2CCNE1CCND3
SCHEMBL4549919 0.80 CDK4 (1.00) CDK4CCND1CDK2CCNE1CCND3

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-20200239486-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER G1 THERAPEUTICS, INC. (US) 2020-07-30 US disclosed
US-20190119294-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER G1 THERAPEUTICS, INC. (US) 2019-04-25 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-20190119294-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER TYMS, TYMP, DPYD CDK4 43/4885CCND1 132/4885CDK2 35/4885
US-20200239486-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER TYMS, TYMP, DPYD CDK4 43/4885CCND1 132/4885CDK2 35/4885

“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.