SCHEMBL9917889

SCHEMBL9917889

N#CCC1(c2cccc(-c3ccnc4[nH]ncc34)c2)CCNC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 11/20 0.62
PRKCD Q05655 3/20 0.49
JAK2 O60674 2/20 0.49
ROCK2 O75116 2/20 0.49
ROCK1 Q13464 2/20 0.49
NUDT1 P36639 1/20 0.48
TLR7 Q9NYK1 2/20 0.38
TLR9 Q9NR96 2/20 0.38
TLR8 Q9NR97 2/20 0.38
AXL P30530 1/20 0.38
MERTK Q12866 1/20 0.38
PRKCA P17252 2/20 0.38
CYP2D6 P10635 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
BRD4 O60885 1/20 0.38
USP30 Q70CQ3 1/20 0.36
CHEK1 O14757 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL13635710 1.00 PRKCQ (0.62) PRKCQPRKCDJAK2ROCK2ROCK1
SCHEMBL9917882 0.92 PRKCQ (0.66) PRKCQPRKCDJAK2ROCK2ROCK1
SCHEMBL9917885 0.87 PRKCQ (0.65) PRKCQPRKCDJAK2ROCK2ROCK1
SCHEMBL9917883 0.87 PRKCQ (0.65) PRKCQPRKCDJAK2ROCK2ROCK1
SCHEMBL9917700 0.81 PRKCQ (0.59) PRKCQPRKCDJAK2ROCK2ROCK1
SCHEMBL9917884 0.80 PRKCQ (0.60) PRKCQPRKCDJAK2ROCK2ROCK1
SCHEMBL9917924 0.78 PRKCQ (0.72) PRKCQPRKCDJAK2ROCK2ROCK1
SCHEMBL9917785 0.78 PRKCQ (0.63) PRKCQPRKCDJAK2ROCK2ROCK1
SCHEMBL9917844 0.78 PRKCQ (0.91) PRKCQPRKCDJAK2ROCK2ROCK1
SCHEMBL2675629 0.78 PRKCQ (0.63) PRKCQPRKCDJAK2ROCK2ROCK1

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 38/4885PRKCD 120/4885JAK2 133/4885
US-20120149680-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885PRKCD 120/4885JAK2 133/4885

“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.