Sugi Predict

Sugi Predict / Compounds / SCHEMBL84917

SCHEMBL84917

SCHEMBL84917

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 10/20 0.55
▸ GABRA1 P14867 6/20 0.42
▸ GABRG2 P18507 6/20 0.42
▸ GABRB3 P28472 6/20 0.42
▸ GABRA5 P31644 6/20 0.42
▸ GABRA3 P34903 6/20 0.42
▸ GABRA2 P47869 5/20 0.40
▸ GABRA6 Q16445 5/20 0.40
▸ PLK3 Q9H4B4 1/20 0.40
▸ PLK2 Q9NYY3 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PMP22 Q01453 1/20 0.40

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 0.89 PLK1 (0.53) PLK1PLK3PLK2
SCHEMBL88828 0.81 PLK1 (0.47) PLK1PLK3PLK2
SCHEMBL88829 0.81 PLK1 (0.47) PLK1PLK3PLK2
SCHEMBL3260678 0.80 GABRG2 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3487951 0.79 GABRG2 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3261704 0.79 PLK1 (0.51) PLK1PLK3PLK2
SCHEMBL3261703 0.79 PLK1 (0.51) PLK1PLK3PLK2
SCHEMBL92591 0.78 PLK1 (0.53) PLK1PLK3PLK2
SCHEMBL3234508 0.77 PLK1 (0.82) PLK1PLK3PLK2
SCHEMBL3234543 0.77 PLK1 (0.82) PLK1PLK3PLK2

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 8 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

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 33/4885GABRA1 4516/4885GABRG2 4337/4885
US-20100099686-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K6, MAP3K1 PLK1 33/4885GABRA1 4516/4885GABRG2 4337/4885

“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.