SCHEMBL12410712

SCHEMBL12410712

CC(=O)c1cnc2[nH]cc(C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 1/20 0.46
BTK Q06187 10/20 0.44
ITK Q08881 10/20 0.44
MET P08581 1/20 0.43
MAP3K12 Q12852 4/20 0.42
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
ABL1 P00519 1/20 0.40
RIPK1 Q13546 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 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
SCHEMBL20319065 0.87 AXL (0.45) SGK1BTKITKMETCLK1
SCHEMBL31403510 0.84 AXL (0.48) SGK1BTKITK
SCHEMBL30731143 0.82 SGK1 (0.45) SGK1CLK1DYRK1ADYRK1BRIPK1
SCHEMBL22554203 0.82 SGK1 (0.45) SGK1CLK1DYRK1ADYRK1BRIPK1
SCHEMBL7921128 0.74 MET (0.46) BTKITKMETMAP3K12PRMT5
SCHEMBL17982075 0.73 CLK1 (0.55) BTKITKCLK1DYRK1ADYRK1B
SCHEMBL21417364 0.73 BTK (0.36) BTKITKMETMAP3K12ABL1
SCHEMBL18369564 0.72 MET (0.45) SGK1BTKITKMETMAP3K12
SCHEMBL10269012 0.72 MET (0.43) BTKITKMETCLK1DYRK1A
SCHEMBL1566306 0.72 ITK (0.54) BTKITKMETDYRK1ADYRK1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166173-A1 3,5-DISUBSTUTUTED 1H-PYRROLO [2,3-B] PYRIDINES AS JNK INHIBITORS EISAI CO., LTD. (JP) 2011-07-07 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-20110166173-A1 3,5-DISUBSTUTUTED 1H-PYRROLO [2,3-B] PYRIDINES AS JNK INHIBITORS API5, CDK5, MAPKAPK5 SGK1 324/4885BTK 1875/4885ITK 2541/4885

“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.