SCHEMBL92594

SCHEMBL92594

CC[C@@H]1c2cncn2-c2cnc(Cl)nc2N1C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
PLK1 P53350 17/20 0.41
PLK2 Q9NYY3 17/20 0.41
PLK3 Q9H4B4 14/20 0.39
PIP4K2A P48426 1/20 0.35
PIP4K2B P78356 1/20 0.35

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
SCHEMBL92595 0.86 BRD4 (0.41) BRD4PLK1PLK2PLK3
SCHEMBL383801 0.81 BRD4 (0.60) BRD4PLK1PLK2PLK3PIP4K2A
SCHEMBL383800 0.81 BRD4 (0.60) BRD4PLK1PLK2PLK3PIP4K2A
SCHEMBL1064899 0.80 PLK2 (0.47) BRD4PLK1PLK2PLK3
SCHEMBL1064898 0.80 PLK2 (0.47) BRD4PLK1PLK2PLK3
SCHEMBL1288479 0.79 BRD4 (0.58) BRD4PLK1PLK2PLK3
SCHEMBL1288485 0.79 BRD4 (0.58) BRD4PLK1PLK2PLK3
SCHEMBL3261703 0.78 PLK1 (0.51) BRD4PLK1PLK2PLK3
SCHEMBL3261704 0.78 PLK1 (0.51) BRD4PLK1PLK2PLK3
SCHEMBL10320062 0.77 PLK1 (0.61) BRD4PLK1PLK2PLK3PIP4K2A

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 6 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-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 BRD4 928/4885PLK1 33/4885PLK2 108/4885
US-20100099686-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K6, MAP3K1 BRD4 928/4885PLK1 33/4885PLK2 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.