SCHEMBL14907685

SCHEMBL14907685

CC#CC(=O)Nc1cccc(CN/C(=N\C#N)NCc2ccnc3[nH]ccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 9/20 0.41
ITK Q08881 7/20 0.41
BRAF P15056 2/20 0.40
ROCK2 O75116 1/20 0.38
JAK3 P52333 2/20 0.35
MELK Q14680 1/20 0.35
CIT O14578 3/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
AURKA O14965 1/20 0.34
RET P07949 1/20 0.34

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
SCHEMBL14894215 1.00 BTK (0.41) BTKITKBRAFROCK2JAK3
SCHEMBL14894331 0.89 BRAF (0.46) BTKITKBRAFROCK2AURKA
SCHEMBL14894295 0.87 BTK (0.42) BTKITKBRAFROCK2JAK3
SCHEMBL14907674 0.82 PRKCI (0.36) BTKBRAFROCK2JAK3CIT
SCHEMBL14894214 0.81 BTK (0.38) BTKITKBRAFROCK2JAK3
SCHEMBL14907713 0.79 VCP (0.46) BTKBRAFROCK2CIT
SCHEMBL14894414 0.79 VCP (0.46) BTKBRAFROCK2CIT
SCHEMBL14894031 0.78 VCP (0.50) BTKBRAFROCK2CITRET
SCHEMBL14894229 0.77 BRAF (0.42) BTKBRAFROCK2JAK3
SCHEMBL14894064 0.77 VCP (0.46) BTKBRAFCITAURKARET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174984-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-11-03 US disclosed
US-9174984-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-11-03 US disclosed
US-20140296204-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-10-02 US disclosed
US-20140296204-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-10-02 US disclosed
WO-2013062945-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-05-02 WO 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-20140296204-A1 CHEMICAL COMPOUNDS DNMT1, DNMT3A, DNMT3B BTK 418/4885ITK 3381/4885BRAF 1473/4885

“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.