SCHEMBL4532136

SCHEMBL4532136

COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)[C@H](C1CC1)CN2C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 17/20 0.74
BRD4 O60885 15/20 0.74
BRDT Q58F21 9/20 0.74
DAPK3 O43293 2/20 0.71
PRKD3 O94806 2/20 0.71
CHEK2 O96017 2/20 0.71
EGFR P00533 2/20 0.71
FES P07332 2/20 0.71
PHKG2 P15735 2/20 0.71
CSNK1D P48730 2/20 0.71
CLK2 P49760 2/20 0.71
NEK2 P51955 2/20 0.71
PTK2 Q05397 2/20 0.71
CAMK2B Q13554 2/20 0.71
CAMK2G Q13555 2/20 0.71
CAMK2D Q13557 2/20 0.71
PTK2B Q14289 2/20 0.71
MINK1 Q8N4C8 2/20 0.71
PRKD2 Q9BZL6 2/20 0.71
SLK Q9H2G2 2/20 0.71

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
SCHEMBL4515456 0.89 PLK1 (0.60) PLK1BRD4BRDTDAPK3PRKD3
SCHEMBL4531747 0.89 PLK1 (0.77) PLK1BRD4BRDTDAPK3PRKD3
SCHEMBL4511601 0.88 PLK1 (0.78) PLK1BRD4BRDTDAPK3PRKD3
SCHEMBL4193051 0.88 PLK1 (0.63) PLK1BRD4BRDTDAPK3PRKD3
SCHEMBL619179 0.86 BRD4 (0.83) PLK1BRD4BRDTDAPK3PRKD3
SCHEMBL10098776 0.86 BRD4 (0.83) PLK1BRD4BRDTDAPK3PRKD3
SCHEMBL4516762 0.85 PLK1 (0.75) PLK1BRD4BRDTDAPK3PRKD3
SCHEMBL4506644 0.84 BRD4 (0.77) PLK1BRD4BRDTDAPK3PRKD3
SCHEMBL2400870 0.84 BRD4 (0.81) PLK1BRD4BRDTDAPK3PRKD3
SCHEMBL13870847 0.84 BRD4 (0.81) PLK1BRD4BRDTDAPK3PRKD3

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
US-20090312336-A1 DIHYDROPTERIDINE COMPOUNDS AS ANTI PROLIFERATIVE AGENTS ASTRAZENECA AB (SE) 2009-12-17 US disclosed
US-20090312336-A1 DIHYDROPTERIDINE COMPOUNDS AS ANTI PROLIFERATIVE AGENTS ASTRAZENECA AB (SE) 2009-12-17 US disclosed
WO-2007135374-A1 DIHYDROPTERIDINE COMPOUNDS AS ANTI PROLIFERATIVE AGENTS ASTRAZENECA AB (SE) 2007-11-29 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-20090312336-A1 DIHYDROPTERIDINE COMPOUNDS AS ANTI PROLIFERATIVE AGENTS QDPR, PLK2, PFKP PLK1 235/4885BRD4 4692/4885BRDT 2607/4885

“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.