SCHEMBL14894331

SCHEMBL14894331

CC#CC(=O)Nc1cccc(CNC(=O)NCc2ccnc3[nH]ccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.46
BTK Q06187 7/20 0.43
ITK Q08881 3/20 0.43
ROCK2 O75116 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.39
RET P07949 1/20 0.38
AURKA O14965 1/20 0.38
NPC1 O15118 1/20 0.37
KDR P35968 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL14894295 0.93 BTK (0.42) BRAFBTKITKROCK2RET
SCHEMBL14894215 0.89 BTK (0.41) BRAFBTKITKROCK2RET
SCHEMBL14907685 0.89 BTK (0.41) BRAFBTKITKROCK2RET
SCHEMBL14894031 0.88 VCP (0.50) BRAFBTKROCK2SMN1; SMN2L3MBTL1
SCHEMBL14894229 0.87 BRAF (0.42) BRAFBTKROCK2SMN1; SMN2L3MBTL1
SCHEMBL14894393 0.86 BTK (0.42) BRAFBTKROCK2SMN1; SMN2L3MBTL1
SCHEMBL14894183 0.85 NPC1 (0.42) BRAFROCK2AURKANPC1KDR
SCHEMBL14907797 0.83 BTK (0.49) BTKITKSMN1; SMN2L3MBTL1TSHR
SCHEMBL14907650 0.82 AURKA (0.48) BRAFBTKROCK2SMN1; SMN2L3MBTL1
SCHEMBL14894109 0.82 NUDT1 (0.39) BRAFBTKITKROCK2RET

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 7 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
EP-2771011-A1 CHEMICAL COMPOUNDS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2014-09-03 EP disclosed
WO-2013062945-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-05-02 WO 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 BRAF 1473/4885BTK 418/4885ITK 3381/4885

“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.