Sugi Predict

Sugi Predict / Compounds / SCHEMBL9917804

SCHEMBL9917804

SCHEMBL9917804

CC(C#N)(Cc1ccccn1)c1cccc(-c2ccnc3[nH]ncc23)c1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 13/20 0.76
▸ JAK2 O60674 2/20 0.69
▸ ROCK2 O75116 2/20 0.69
▸ PRKCD Q05655 2/20 0.69
▸ ROCK1 Q13464 2/20 0.69
▸ PRKCA P17252 1/20 0.50
▸ NUDT1 P36639 1/20 0.49
▸ BRD4 O60885 1/20 0.40
▸ CHEK1 O14757 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.38
▸ TLR9 Q9NR96 1/20 0.38
▸ TLR8 Q9NR97 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38
▸ TGFBR1 P36897 1/20 0.38
▸ HTT P42858 1/20 0.37

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
SCHEMBL9917787 0.89 PRKCQ (0.78) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL2675453 0.87 PRKCQ (1.00) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL9917805 0.85 PRKCQ (0.75) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL9917796 0.85 PRKCQ (0.78) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL9917760 0.85 PRKCQ (0.81) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL9917758 0.85 PRKCQ (0.84) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL9917780 0.84 PRKCQ (0.79) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL9917794 0.84 PRKCQ (0.79) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL9917786 0.84 PRKCQ (0.79) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL9917779 0.84 PRKCQ (0.79) PRKCQJAK2ROCK2PRKCDROCK1

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-8367697-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-05 — — US disclosed
US-8367697-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-05 — — US disclosed
US-20120149680-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-14 — — US disclosed
US-20120149680-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-14 — — US disclosed
US-8173635-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-08 — — US disclosed
US-8173635-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-08 — — US disclosed
US-20090291937-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-11-26 — — US disclosed
US-20090291937-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-11-26 — — 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-20090291937-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885JAK2 133/4885ROCK2 287/4885
US-20120149680-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885JAK2 133/4885ROCK2 287/4885

“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.