Sugi Predict

Sugi Predict / Compounds / SCHEMBL9917864

SCHEMBL9917864

SCHEMBL9917864

COc1cccc(CC(C)(CN)c2cccc(-c3ccnc4[nH]ncc34)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 14/20 0.69
▸ JAK2 O60674 1/20 0.54
▸ ROCK2 O75116 1/20 0.54
▸ PRKCD Q05655 1/20 0.54
▸ ROCK1 Q13464 1/20 0.54
▸ NUDT1 P36639 1/20 0.46
▸ BRD4 O60885 1/20 0.44
▸ RPS6KB1 P23443 1/20 0.41
▸ MGAT2 Q10469 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ FLT3 P36888 1/20 0.39

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
SCHEMBL9917865 0.92 PRKCQ (0.71) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL9917840 0.89 PRKCQ (0.77) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL9917862 0.87 PRKCQ (0.74) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL9917863 0.86 PRKCQ (0.76) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL9917841 0.84 PRKCQ (0.79) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL9917742 0.83 PRKCQ (0.84) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL9917732 0.82 PRKCQ (1.00) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL9917842 0.82 PRKCQ (1.00) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL9917843 0.82 PRKCQ (1.00) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL9917867 0.82 PRKCQ (0.76) 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.