SCHEMBL21755682

SCHEMBL21755682

CNC(=O)c1ccc(Nc2ncc3c(n2)N(C2CCCC2)[C@@H](C)CCCCC(=O)N3C)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 17/20 0.51
TTK P33981 1/20 0.51
PLK3 Q9H4B4 6/20 0.49
PLK2 Q9NYY3 5/20 0.49
BRD4 O60885 10/20 0.48
TAF1 P21675 2/20 0.48
MAPK7 Q13164 1/20 0.47
DYRK1A Q13627 1/20 0.47
BRDT Q58F21 8/20 0.46
RAD52 P43351 1/20 0.44
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
PRKCG P05129 1/20 0.43
CLK2 P49760 1/20 0.43
RPS6KA3 P51812 1/20 0.43
NEK4 P51957 1/20 0.43
PTK2 Q05397 1/20 0.43
CAMK2G Q13555 1/20 0.43
CAMK2D Q13557 1/20 0.43
SRPK1 Q96SB4 1/20 0.43

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
SCHEMBL21755686 0.89 BRD4 (0.64) PLK1TTKPLK3PLK2BRD4
SCHEMBL21755701 0.85 PLK1 (0.66) PLK1TTKPLK3PLK2BRD4
SCHEMBL10098794 0.82 PLK1 (0.69) PLK1PLK3PLK2BRD4TAF1
SCHEMBL619956 0.82 PLK1 (0.69) PLK1PLK3PLK2BRD4TAF1
SCHEMBL2398350 0.78 PLK1 (0.54) PLK1TTKPLK3PLK2BRD4
SCHEMBL2394118 0.76 PLK1 (0.68) PLK1TTKPLK3PLK2BRD4
SCHEMBL2394142 0.76 PLK1 (0.68) PLK1TTKPLK3PLK2BRD4
SCHEMBL4104990 0.76 PLK1 (0.70) PLK1TTKPLK3PLK2BRD4
SCHEMBL21755692 0.76 PLK1 (0.68) PLK1TTKPLK3PLK2BRD4
SCHEMBL3987399 0.75 PLK1 (0.74) PLK1TTKPLK3BRD4TAF1

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 PLK1 110/4885TTK 41/4885PLK3 71/4885

“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.