SCHEMBL13227794

SCHEMBL13227794

CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)C4)cc3OC)nc2N1C1CCCC1

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 0.92
PLK1 P53350 13/20 0.92
PLK3 Q9H4B4 7/20 0.92
ALK Q9UM73 5/20 0.92
TAF1 P21675 5/20 0.92
PLK2 Q9NYY3 5/20 0.92
PRKD3 O94806 3/20 0.92
CLK2 P49760 3/20 0.92
PTK2 Q05397 3/20 0.92
CAMK2G Q13555 3/20 0.92
CAMK2D Q13557 3/20 0.92
PRKD2 Q9BZL6 3/20 0.92
CSNK1G1 Q9HCP0 3/20 0.92
CSNK1G3 Q9Y6M4 3/20 0.92
BRDT Q58F21 3/20 0.92
DAPK3 O43293 2/20 0.92
CHEK2 O96017 2/20 0.92
EGFR P00533 2/20 0.92
FES P07332 2/20 0.92
PHKG2 P15735 2/20 0.92

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
Bi-2536 SCHEMBL614114 0.96 BRD4 (1.00) BRD4PLK1PLK3ALKTAF1
Bi-2536 SCHEMBL16984416 0.96 BRD4 (1.00) BRD4PLK1PLK3ALKTAF1
Bi-2536 SCHEMBL372489 0.96 BRD4 (1.00) BRD4PLK1PLK3ALKTAF1
Bi-2536 SCHEMBL29395966 0.96 BRD4 (1.00) BRD4PLK1PLK3ALKTAF1
Bi-2536 SCHEMBL29644993 0.95 BRD4 (0.99) BRD4PLK1PLK3ALKTAF1
SCHEMBL24851804 0.93 PLK1 (1.00) BRD4PLK1PLK3ALKTAF1
SCHEMBL12323293 0.93 BRD4 (0.84) BRD4PLK1PLK3ALKTAF1
SCHEMBL12323289 0.93 BRD4 (0.84) BRD4PLK1PLK3ALKTAF1
SCHEMBL12323277 0.93 BRD4 (0.84) BRD4PLK1PLK3ALKTAF1
SCHEMBL12324592 0.93 BRD4 (0.84) BRD4PLK1PLK3ALKTAF1

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-20100216802-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2010-08-26 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-20100216802-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER PLK2, PLK4, PLK3 BRD4 1014/4885PLK1 7/4885PLK3 3/4885

“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.