SCHEMBL21755697

SCHEMBL21755697

COc1cc(C(=O)NC2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)[C@@H](C)CCCCC(=O)N2C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 18/20 0.72
BRD4 O60885 14/20 0.72
BRDT Q58F21 11/20 0.72
PLK3 Q9H4B4 5/20 0.68
PLK2 Q9NYY3 4/20 0.68
RAD52 P43351 1/20 0.68
PRKD3 O94806 3/20 0.67
CLK2 P49760 3/20 0.67
PTK2 Q05397 3/20 0.67
CAMK2G Q13555 3/20 0.67
CAMK2D Q13557 3/20 0.67
PRKD2 Q9BZL6 3/20 0.67
CSNK1G1 Q9HCP0 3/20 0.67
CSNK1G3 Q9Y6M4 3/20 0.67
MAP4K4 O95819 2/20 0.67
PRKCG P05129 2/20 0.67
RPS6KA3 P51812 2/20 0.67
NEK4 P51957 2/20 0.67
SRPK1 Q96SB4 1/20 0.67
DAPK3 O43293 2/20 0.64

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
SCHEMBL21755701 0.90 PLK1 (0.66) PLK1BRD4BRDTPLK3PLK2
SCHEMBL21755692 0.88 PLK1 (0.68) PLK1BRD4BRDTPLK3PLK2
SCHEMBL2400870 0.86 BRD4 (0.81) PLK1BRD4BRDTPLK3PLK2
SCHEMBL13870847 0.86 BRD4 (0.81) PLK1BRD4BRDTPLK3PLK2
SCHEMBL618594 0.86 BRD4 (0.81) PLK1BRD4BRDTPLK3PLK2
SCHEMBL617519 0.85 PLK1 (0.75) PLK1BRD4BRDTPLK3PLK2
SCHEMBL10098799 0.85 PLK1 (0.75) PLK1BRD4BRDTPLK3PLK2
SCHEMBL21755709 0.85 PLK1 (0.77) PLK1BRD4BRDTPLK3PLK2
SCHEMBL1202517 0.84 PLK1 (0.94) PLK1BRD4BRDTPLK3PLK2
SCHEMBL4304198 0.82 PLK1 (0.73) PLK1BRD4BRDTPLK3PLK2

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 110/4885BRD4 614/4885BRDT 789/4885

“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.