SCHEMBL16971930

SCHEMBL16971930

CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3)nc2N1C1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 1.00
TAF1 P21675 6/20 1.00
PLK1 P53350 11/20 0.77
PLK3 Q9H4B4 7/20 0.77
ALK Q9UM73 5/20 0.77
PLK2 Q9NYY3 5/20 0.77
PRKD3 O94806 3/20 0.77
CLK2 P49760 3/20 0.77
PTK2 Q05397 3/20 0.77
CAMK2G Q13555 3/20 0.77
CAMK2D Q13557 3/20 0.77
PRKD2 Q9BZL6 3/20 0.77
CSNK1G1 Q9HCP0 3/20 0.77
CSNK1G3 Q9Y6M4 3/20 0.77
BRDT Q58F21 2/20 0.77
DAPK3 O43293 2/20 0.77
CHEK2 O96017 2/20 0.77
EGFR P00533 2/20 0.77
FES P07332 2/20 0.77
PHKG2 P15735 2/20 0.77

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
SCHEMBL16971929 1.00 BRD4 (1.00) BRD4TAF1PLK1PLK3ALK
SCHEMBL25787073 0.94 BRD4 (0.89) BRD4TAF1PLK1PLK3ALK
SCHEMBL12838245 0.89 PLK1 (0.91) BRD4TAF1PLK1PLK3ALK
SCHEMBL17507123 0.88 BRD4 (0.79) BRD4TAF1PLK1PLK3PLK2
SCHEMBL17507124 0.88 BRD4 (0.79) BRD4TAF1PLK1PLK3PLK2
SCHEMBL4515808 0.88 BRD4 (0.82) BRD4TAF1PLK1PLK3ALK
Bromide SCHEMBL30394276 0.88 PLK1 (0.90) BRD4TAF1PLK1PLK3ALK
SCHEMBL12766938 0.87 BRD4 (0.83) BRD4TAF1PLK1PLK3ALK
Bi-2536 SCHEMBL29395966 0.87 BRD4 (1.00) BRD4TAF1PLK1PLK3ALK
Bi-2536 SCHEMBL372489 0.87 BRD4 (1.00) BRD4TAF1PLK1PLK3ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3099171-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2016-12-07 EP disclosed
US-20160347750-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-12-01 US disclosed
WO-2015117055-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-08-06 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-20160347750-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF BRDT, BRD4, BRD3 BRD4 2/4885TAF1 2161/4885PLK1 2859/4885

“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.