SCHEMBL17816271

SCHEMBL17816271

CC(C)(C)c1nccc(C(C)(C)C#N)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.42
ROCK2 O75116 3/20 0.42
PRKCQ Q04759 3/20 0.42
PRKCD Q05655 3/20 0.42
ROCK1 Q13464 3/20 0.42
PRKCA P17252 2/20 0.42
PRKACA P17612 1/20 0.42
FLT3 P36888 1/20 0.42
GSK3B P49841 1/20 0.42
JAK3 P52333 1/20 0.42
CHRNA7 P36544 1/20 0.32
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL24620400 0.85 JAK2 (0.36) JAK2ROCK2PRKCQPRKCDROCK1
SCHEMBL279200 0.80 SYK (0.39) ADORA2AADORA1
SCHEMBL16454353 0.79 JAK2 (0.43) JAK2ROCK2PRKCQPRKCDROCK1
SCHEMBL31440273 0.78 JAK2 (0.42) JAK2ROCK2PRKCQPRKCDROCK1
SCHEMBL28587194 0.78 JAK2 (0.42) JAK2ROCK2PRKCQPRKCDROCK1
SCHEMBL2625468 0.75 ADRB1 (0.41)
SCHEMBL27269565 0.75 ADORA2A (0.33) ADORA2AADORA1
SCHEMBL19670056 0.75 ADORA2A (0.33) ADORA2AADORA1
SCHEMBL24965477 0.75 ADORA2A (0.36) ADORA2AADORA1
SCHEMBL12553829 0.75 IDH1 (0.33) ADORA2AADORA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 US disclosed
US-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 US disclosed
US-20160159781-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 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 (1 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-20160159781-A1 CHEMICAL COMPOUNDS DDT, CBR3, CYP1B1 JAK2 1416/4885ROCK2 1204/4885PRKCQ 2660/4885

“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.