SCHEMBL84783

SCHEMBL84783

CCOC(=O)c1ncn2c1[C@@H](CC)N(C1CCCC1)c1nc(Nc3ccc(C(=O)NC)cc3OC)ncc1-2

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 19/20 0.82
PLK3 Q9H4B4 6/20 0.61
PLK2 Q9NYY3 5/20 0.61
PRKD3 O94806 3/20 0.60
CLK2 P49760 3/20 0.60
PTK2 Q05397 3/20 0.60
CAMK2G Q13555 3/20 0.60
CAMK2D Q13557 3/20 0.60
PRKD2 Q9BZL6 3/20 0.60
CSNK1G1 Q9HCP0 3/20 0.60
CSNK1G3 Q9Y6M4 3/20 0.60
MAP4K4 O95819 2/20 0.60
PRKCG P05129 2/20 0.60
RPS6KA3 P51812 2/20 0.60
NEK4 P51957 2/20 0.60
SRPK1 Q96SB4 1/20 0.60
BRD4 O60885 7/20 0.58
BRDT Q58F21 2/20 0.58
DAPK3 O43293 2/20 0.58
CHEK2 O96017 2/20 0.58

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
SCHEMBL3234543 0.93 PLK1 (0.82) PLK1PLK3PLK2PRKD3CLK2
SCHEMBL3234508 0.93 PLK1 (0.82) PLK1PLK3PLK2PRKD3CLK2
SCHEMBL6124280 0.93 PLK1 (0.73) PLK1PLK3PLK2PRKD3CLK2
SCHEMBL74216 0.93 PLK1 (0.81) PLK1PLK3PLK2PRKD3CLK2
SCHEMBL74215 0.93 PLK1 (0.81) PLK1PLK3PLK2PRKD3CLK2
SCHEMBL84779 0.93 PLK1 (0.71) PLK1PLK3PLK2PRKD3CLK2
SCHEMBL84772 0.86 PLK1 (0.80) PLK1PLK3PLK2PRKD3CLK2
SCHEMBL73872 0.86 PLK1 (0.91) PLK1PLK3PLK2PRKD3CLK2
SCHEMBL73871 0.86 PLK1 (0.91) PLK1PLK3PLK2PRKD3CLK2
SCHEMBL6124279 0.86 PLK1 (0.82) PLK1PLK3PLK2PRKD3CLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557818-B2 Compounds useful as protein kinase inhibitors VERTEX PHAMACEUTICALS INCORPORATED (US) 2013-10-15 US disclosed
US-20120122879-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-17 US disclosed
US-20120122879-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-17 US disclosed
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-8129387-B2 Substituted 5,6-dihydroimidazo[1,5-F]pteridines useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-06 US disclosed
EP-2102210-B1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2011-02-09 EP disclosed
US-20100099686-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2010-04-22 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 (2 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-20120122879-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K6, MAP3K1 PLK1 33/4885PLK3 373/4885PLK2 108/4885
US-20100099686-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K6, MAP3K1 PLK1 33/4885PLK3 373/4885PLK2 108/4885

“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.