SCHEMBL17898402

SCHEMBL17898402

CCc1cnn2c(NCc3ccccc3)cc(N3CCCC[C@H]3CCO)nc12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.80
CDK9 P50750 7/20 0.80
CDK7 P50613 7/20 0.80
CCNE1 P24864 6/20 0.80
CDK5 Q00535 5/20 0.80
CDK1 P06493 5/20 0.80
CDK12 Q9NYV4 5/20 0.80
CCNK O75909 4/20 0.80
GSK3B P49841 3/20 0.80
CCNH P51946 3/20 0.80
MNAT1 P51948 3/20 0.80
GSK3A P49840 2/20 0.80
TAOK1 Q7L7X3 2/20 0.80
CCNT1 O60563 2/20 0.80
CDK13 Q14004 2/20 0.80
CCNT2 O60583 1/20 0.80
BRD4 O60885 1/20 0.80
CCNB2 O95067 1/20 0.80
CCNE2 O96020 1/20 0.80
CDK4 P11802 1/20 0.80

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
SCHEMBL30356828 0.92 CDK2 (0.74) CDK2CDK9CDK7CCNE1CDK5
SCHEMBL12953706 0.92 CDK2 (0.75) CDK2CDK9CDK7CCNE1CDK5
SCHEMBL16198015 0.92 CDK2 (0.75) CDK2CDK9CDK7CCNE1CDK5
SCHEMBL23815646 0.91 CDK2 (0.84) CDK2CDK9CDK7CCNE1CDK5
SCHEMBL20366942 0.91 CDK2 (0.84) CDK2CDK9CDK7CCNE1CDK5
SCHEMBL18122698 0.91 CDK2 (0.74) CDK2CDK9CDK7CCNE1CDK5
SCHEMBL20549653 0.91 CDK2 (0.74) CDK2CDK9CDK7CCNE1CDK5
SCHEMBL18122688 0.91 CDK2 (0.74) CDK2CDK9CDK7CCNE1CDK5
SCHEMBL15576865 0.90 CDK2 (0.86) CDK2CDK9CDK7CCNE1CDK5
SCHEMBL30356835 0.90 CDK2 (0.69) CDK2CDK9CDK7CCNE1CDK5

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-20160193334-A1 TREATING CANCER WITH A COMBINATION OF A PD-1 ANTAGONIST AND DINACICLIB MERCK SHARP & DOHME CORP. (US) 2016-07-07 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-20160193334-A1 TREATING CANCER WITH A COMBINATION OF A PD-1 ANTAGONIST AND DINACICLIB PDCD1, CD274, PDCD1LG2 CDK2 16/4885CDK9 14/4885CDK7 19/4885

“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.