SCHEMBL21755685

SCHEMBL21755685

CC[C@@H]1[C@H](C)C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cn3)nc2N1C1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 18/20 0.68
TAF1 P21675 6/20 0.68
PLK1 P53350 12/20 0.62
BRDT Q58F21 8/20 0.62
ALK Q9UM73 5/20 0.62
PLK3 Q9H4B4 3/20 0.62
DAPK3 O43293 2/20 0.62
PRKD3 O94806 2/20 0.62
CHEK2 O96017 2/20 0.62
EGFR P00533 2/20 0.62
FES P07332 2/20 0.62
PHKG2 P15735 2/20 0.62
CSNK1D P48730 2/20 0.62
CLK2 P49760 2/20 0.62
NEK2 P51955 2/20 0.62
PTK2 Q05397 2/20 0.62
CAMK2B Q13554 2/20 0.62
CAMK2G Q13555 2/20 0.62
CAMK2D Q13557 2/20 0.62
PTK2B Q14289 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
SCHEMBL618659 0.86 BRD4 (0.67) BRD4TAF1PLK1BRDTALK
SCHEMBL10098806 0.86 BRD4 (0.67) BRD4TAF1PLK1BRDTALK
SCHEMBL21755686 0.84 BRD4 (0.64) BRD4TAF1PLK1BRDTALK
SCHEMBL19105095 0.82 PLK1 (0.63) BRD4TAF1PLK1BRDTALK
SCHEMBL16971929 0.81 BRD4 (1.00) BRD4TAF1PLK1BRDTALK
SCHEMBL16971930 0.81 BRD4 (1.00) BRD4TAF1PLK1BRDTALK
SCHEMBL3987399 0.80 PLK1 (0.74) BRD4TAF1PLK1BRDTALK
SCHEMBL21755709 0.80 PLK1 (0.77) BRD4TAF1PLK1BRDTALK
SCHEMBL12838245 0.78 PLK1 (0.91) BRD4TAF1PLK1BRDTALK
SCHEMBL4076050 0.77 PLK1 (0.86) BRD4TAF1PLK1BRDTALK

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-10570154-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-02-25 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 (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-10570154-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders BRSK2, STK3, BRSK1 BRD4 614/4885TAF1 1629/4885PLK1 110/4885

“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.