SCHEMBL9917872

SCHEMBL9917872

NCC1(c2cccc(-c3ccnc4[nH]ncc34)c2)CCC(F)(F)CC1

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 13/20 0.82
NUDT1 P36639 1/20 0.52
PRKCD Q05655 4/20 0.51
PRKCA P17252 3/20 0.51
KCNH2 Q12809 1/20 0.51
PRKACA P17612 1/20 0.48
FLT3 P36888 1/20 0.48
PRKCB P05771 1/20 0.48
JAK2 O60674 1/20 0.45
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
TLR9 Q9NR96 2/20 0.43
TLR8 Q9NR97 2/20 0.43
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TLR7 Q9NYK1 2/20 0.41
BRD4 O60885 1/20 0.40
TYRO3 Q06418 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
SCHEMBL9917844 0.95 PRKCQ (0.91) PRKCQNUDT1PRKCDPRKCAKCNH2
SCHEMBL9917918 0.91 PRKCQ (0.77) PRKCQNUDT1PRKCDPRKCAKCNH2
SCHEMBL9917740 0.90 PRKCQ (1.00) PRKCQNUDT1PRKCDPRKCAKCNH2
SCHEMBL9917741 0.90 PRKCQ (1.00) PRKCQNUDT1PRKCDPRKCAKCNH2
SCHEMBL9917868 0.89 PRKCQ (1.00) PRKCQNUDT1PRKCDPRKCAKCNH2
SCHEMBL9917848 0.88 PRKCQ (1.00) PRKCQNUDT1PRKCDPRKCAKCNH2
SCHEMBL9917916 0.87 PRKCQ (0.81) PRKCQNUDT1PRKCDPRKCAKCNH2
SCHEMBL9917874 0.86 PRKCQ (0.79) PRKCQNUDT1PRKCDPRKCAKCNH2
SCHEMBL9917873 0.86 PRKCQ (0.79) PRKCQNUDT1PRKCDPRKCAKCNH2
SCHEMBL9917924 0.84 PRKCQ (0.72) PRKCQNUDT1PRKCDPRKCAKCNH2

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 38/4885NUDT1 1351/4885PRKCD 120/4885
US-20120149680-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885NUDT1 1351/4885PRKCD 120/4885

“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.