SCHEMBL19912801

SCHEMBL19912801

CSc1nc(NCC2CCCCC2)n2ncc(C(C)C)c2n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.41
CCNE1 P24864 3/20 0.41
CDK7 P50613 3/20 0.41
CCNH P51946 2/20 0.41
MNAT1 P51948 2/20 0.41
CDK1 P06493 1/20 0.41
CDK9 P50750 15/20 0.40
ADORA1 P30542 1/20 0.38
CSNK2A1 P68400 1/20 0.38
TTK P33981 1/20 0.37
CDK4 P11802 1/20 0.36

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
SCHEMBL18073036 0.89 CDK2 (0.53) CDK2CCNE1CDK7CCNHMNAT1
SCHEMBL19912802 0.81 CDK2 (0.40) CDK2CCNE1CDK7CCNHMNAT1
SCHEMBL19896531 0.80 BCDIN3D (0.45) CDK2CDK7CCNHMNAT1CDK9
SCHEMBL19912803 0.78 CDK2 (0.60) CDK2CDK7CCNHMNAT1CDK9
SCHEMBL21484228 0.77 ADORA1 (0.34) CDK2CCNE1CDK7CCNHMNAT1
SCHEMBL16659551 0.77 CDK2 (0.36) CDK2CCNE1CDK7CCNHCDK9
SCHEMBL23352057 0.76 ADORA1 (0.39) CDK2CCNE1CDK7CCNHMNAT1
SCHEMBL21481503 0.76 ADORA1 (0.39) CDK2CCNE1CDK7CCNHMNAT1
SCHEMBL12584690 0.75 CSNK2B (0.39) ADORA1CSNK2A1TTK
SCHEMBL19912800 0.74 CDK9 (0.47) CDK2CCNE1CDK7CCNHCDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180057497-A1 Pyrazolo[1,5-A][1,3,5]Triazine and Pyrazolo[1,5-A]Pyrimidine Derivatives as CDK Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-01 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 (1 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-20180057497-A1 Pyrazolo[1,5-A][1,3,5]Triazine and Pyrazolo[1,5-A]Pyrimidine Derivatives as CDK Inhibitors CDK15, CDK1, CDK19 CDK2 13/4885CCNE1 33/4885CDK7 11/4885

“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.