SCHEMBL19220709

SCHEMBL19220709

Cc1nc(Nc2ncc(F)c(-c3cc(C)c4nc(C)n(C(C)C)c4c3)n2)ccc1CN1CCN(C(C)C)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 0.62
CDK6 Q00534 17/20 0.62
CDK2 P24941 13/20 0.62
CDK1 P06493 13/20 0.62
CCNB1 P14635 7/20 0.62
CCNE1 P24864 7/20 0.62
CCND3 P30281 6/20 0.62
CDK7 P50613 6/20 0.62
CDK9 P50750 6/20 0.62
CCNA2 P20248 4/20 0.62
CCNT1 O60563 2/20 0.62
EGFR P00533 2/20 0.62
NTRK1 P04629 2/20 0.62
BRAF P15056 2/20 0.62
KDR P35968 2/20 0.62
MAPK8 P45983 2/20 0.62
CCNH P51946 2/20 0.62
MNAT1 P51948 2/20 0.62
MAPK10 P53779 2/20 0.62
CDK5 Q00535 2/20 0.62

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
SCHEMBL19225629 0.95 CDK4 (0.69) CDK4CDK6CDK2CDK1CCNB1
SCHEMBL19220708 0.94 CDK4 (0.71) CDK4CDK6CDK2CDK1CCNB1
SCHEMBL19220702 0.88 CDK6 (0.79) CDK4CDK6CDK2CDK1CCNB1
SCHEMBL19225627 0.88 CDK4 (0.79) CDK4CDK6CDK2CDK1CCNB1
SCHEMBL19220707 0.87 CDK4 (0.62) CDK4CDK6CDK2CDK1CCNB1
SCHEMBL13012327 0.85 CDK4 (0.67) CDK4CDK6CDK2CDK1CCNB1
SCHEMBL2487954 0.83 CDK6 (0.88) CDK4CDK6CDK2CDK1CCNB1
SCHEMBL19057207 0.82 CDK6 (0.90) CDK4CDK6CDK2CDK1CCNB1
SCHEMBL19220701 0.82 CDK6 (0.79) CDK4CDK6CDK2CDK1CCNB1
SCHEMBL3448302 0.82 CDK4 (0.69) CDK4CDK6CDK2CDK1CCNB1

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-20170224819-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a CDK 4/6 Inhibitor ACERTA PHARMA BV (NL) 2017-08-10 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-20170224819-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a CDK 4/6 Inhibitor BTK, CDK6, CDK4 CDK4 3/4885CDK6 2/4885CDK2 5/4885

“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.