SCHEMBL21755700

SCHEMBL21755700

C[C@H]1CCCCC(=O)N(C)c2cnc(NC3CCN(C)CC3)nc2N1C1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 2/20 0.52
BRD4 O60885 16/20 0.50
TAF1 P21675 4/20 0.50
PLK1 P53350 12/20 0.46
BRDT Q58F21 8/20 0.46
RAD52 P43351 1/20 0.45
ALK Q9UM73 5/20 0.42
DAPK3 O43293 2/20 0.42
PRKD3 O94806 2/20 0.42
CHEK2 O96017 2/20 0.42
EGFR P00533 2/20 0.42
FES P07332 2/20 0.42
PHKG2 P15735 2/20 0.42
CSNK1D P48730 2/20 0.42
CLK2 P49760 2/20 0.42
NEK2 P51955 2/20 0.42
PTK2 Q05397 2/20 0.42
CAMK2B Q13554 2/20 0.42
CAMK2G Q13555 2/20 0.42
CAMK2D Q13557 2/20 0.42

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 0.81 BRD4 (0.64) MAPK7BRD4TAF1PLK1BRDT
SCHEMBL10098784 0.79 PLK1 (0.61) MAPK7BRD4TAF1PLK1BRDT
SCHEMBL617429 0.79 PLK1 (0.61) MAPK7BRD4TAF1PLK1BRDT
SCHEMBL21755699 0.76 PLK1 (0.66) MAPK7BRD4PLK1PTK2PLK3
SCHEMBL21755682 0.74 PLK1 (0.51) MAPK7BRD4TAF1PLK1BRDT
SCHEMBL4981862 0.74 PLK1 (0.55) MAPK7BRD4PLK1BRDTRAD52
SCHEMBL1202930 0.73 BRD4 (0.79) MAPK7BRD4TAF1PLK1BRDT
SCHEMBL21755701 0.71 PLK1 (0.66) MAPK7BRD4TAF1PLK1BRDT
SCHEMBL19105507 0.70 PLK1 (0.51) MAPK7BRD4TAF1PLK1BRDT
SCHEMBL2395758 0.70 PLK1 (0.54) BRD4PLK1BRDTRAD52ALK

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 MAPK7 253/4885BRD4 614/4885TAF1 1629/4885

“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.