SCHEMBL17507124

SCHEMBL17507124

CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NN)cc3)nc2N1C1CCCC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.79
TAF1 P21675 2/20 0.79
PLK1 P53350 17/20 0.74
PLK3 Q9H4B4 16/20 0.74
PLK2 Q9NYY3 15/20 0.74
PARP1 P09874 1/20 0.64
PRKD3 O94806 1/20 0.64
MAP4K4 O95819 1/20 0.64
PRKCG P05129 1/20 0.64
CLK2 P49760 1/20 0.64
RPS6KA3 P51812 1/20 0.64
NEK4 P51957 1/20 0.64
PTK2 Q05397 1/20 0.64
CAMK2G Q13555 1/20 0.64
CAMK2D Q13557 1/20 0.64
SRPK1 Q96SB4 1/20 0.64
PRKD2 Q9BZL6 1/20 0.64
CSNK1G1 Q9HCP0 1/20 0.64
CSNK1G3 Q9Y6M4 1/20 0.64
MAPK7 Q13164 1/20 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
SCHEMBL17507123 1.00 BRD4 (0.79) BRD4TAF1PLK1PLK3PLK2
SCHEMBL17507106 0.91 BRD4 (0.76) BRD4TAF1PLK1PLK3PLK2
SCHEMBL17507107 0.91 BRD4 (0.76) BRD4TAF1PLK1PLK3PLK2
SCHEMBL30110150 0.91 BRD4 (0.76) BRD4TAF1PLK1PLK3PLK2
SCHEMBL25787073 0.91 BRD4 (0.89) BRD4TAF1PLK1PLK3PLK2
SCHEMBL25785843 0.90 BRD4 (0.74) BRD4TAF1PLK1PLK3PLK2
SCHEMBL25768123 0.89 BRD4 (0.74) BRD4TAF1PLK1PLK3PLK2
SCHEMBL16971930 0.88 BRD4 (1.00) BRD4TAF1PLK1PLK3PLK2
SCHEMBL16971929 0.88 BRD4 (1.00) BRD4TAF1PLK1PLK3PLK2
SCHEMBL376015 0.88 PLK1 (0.77) BRD4TAF1PLK1PLK3PLK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951074-B2 Dihydropteridinone derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-24 US disclosed
EP-3177147-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2017-06-14 EP disclosed
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
WO-2016022970-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-02-11 WO 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-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF BRDT, BRD4, BRD3 BRD4 2/4885TAF1 2375/4885PLK1 2387/4885

“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.