SCHEMBL9917829

SCHEMBL9917829

NCC1(c2cc(-c3ccnc4[nH]ncc34)cc(C(F)(F)F)c2)CCC1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 16/20 0.70
PRKCD Q05655 5/20 0.52
PRKCA P17252 4/20 0.52
KCNH2 Q12809 2/20 0.52
JAK2 O60674 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
SLC6A4 P31645 1/20 0.41
PRKACA P17612 1/20 0.41
FLT3 P36888 1/20 0.41
BRD4 O60885 1/20 0.41
NUDT1 P36639 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
SCHEMBL13624661 0.90 PRKCQ (0.70) PRKCQPRKCDPRKCAKCNH2JAK2
SCHEMBL9917879 0.87 PRKCQ (0.74) PRKCQPRKCDPRKCAKCNH2TLR9
SCHEMBL9917881 0.85 PRKCQ (0.75) PRKCQPRKCDPRKCAKCNH2JAK2
SCHEMBL9917834 0.85 PRKCQ (0.74) PRKCQPRKCDPRKCAKCNH2JAK2
SCHEMBL9917880 0.82 PRKCQ (0.74) PRKCQPRKCDPRKCAKCNH2JAK2
SCHEMBL9917740 0.82 PRKCQ (1.00) PRKCQPRKCDPRKCAKCNH2JAK2
SCHEMBL9917781 0.82 PRKCQ (0.48) PRKCQPRKCDJAK2ROCK2ROCK1
SCHEMBL9917741 0.80 PRKCQ (1.00) PRKCQPRKCDPRKCAKCNH2JAK2
SCHEMBL9917868 0.79 PRKCQ (1.00) PRKCQPRKCDPRKCAKCNH2JAK2
SCHEMBL9917836 0.79 PRKCQ (0.68) PRKCQPRKCDPRKCAKCNH2JAK2

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 120/4885PRKCA 25/4885
US-20120149680-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885PRKCD 120/4885PRKCA 25/4885

“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.