SCHEMBL92591

SCHEMBL92591

CC[C@@H]1c2c(C(=O)O)ncn2-c2cnc(N)nc2N1C1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 19/20 0.53
PLK2 Q9NYY3 10/20 0.41
PLK3 Q9H4B4 7/20 0.41
BRD4 O60885 1/20 0.38

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
SCHEMBL74771 0.88 PLK1 (0.53) PLK1PLK2PLK3BRD4
SCHEMBL6127769 0.86 PLK1 (0.59) PLK1PLK2PLK3BRD4
SCHEMBL88829 0.80 PLK1 (0.47) PLK1PLK2PLK3BRD4
SCHEMBL88828 0.80 PLK1 (0.47) PLK1PLK2PLK3BRD4
SCHEMBL84917 0.78 PLK1 (0.55) PLK1PLK2PLK3
SCHEMBL1120144 0.77 PLK1 (0.53) PLK1PLK2PLK3BRD4
SCHEMBL92595 0.77 BRD4 (0.41) PLK1PLK2PLK3BRD4
SCHEMBL383980 0.76 BRD4 (0.60) PLK1PLK2PLK3BRD4
SCHEMBL383981 0.76 BRD4 (0.60) PLK1PLK2PLK3BRD4
SCHEMBL74216 0.74 PLK1 (0.81) PLK1PLK2PLK3BRD4

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-8129387-B2 Substituted 5,6-dihydroimidazo[1,5-F]pteridines useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-06 US disclosed
US-20100099686-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2010-04-22 US disclosed
WO-2008076392-A2 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-26 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-20100099686-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K6, MAP3K1 PLK1 33/4885PLK2 108/4885PLK3 373/4885

“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.