SCHEMBL14907797

SCHEMBL14907797

CC#CC(=O)Nc1cccc(CNC(=O)NCc2ccnc3[nH]cc(Cl)c23)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.49
ITK Q08881 6/20 0.49
JAK3 P52333 1/20 0.42
NPC1 O15118 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP3A5 P20815 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EGFR P00533 1/20 0.38
RAB9A P51151 1/20 0.38
KDR P35968 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.37
ROCK1 Q13464 1/20 0.37
EPHX2 P34913 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
SCHEMBL14893970 0.89 VCP (0.46) BTKITKNPC1SMN1; SMN2L3MBTL1
SCHEMBL14894551 0.84 EGFR (0.56) BTKITKJAK3EGFR
SCHEMBL14894331 0.83 BRAF (0.46) BTKITKNPC1SMN1; SMN2L3MBTL1
SCHEMBL14907706 0.82 ROCK2 (0.44) NPC1EGFRRAB9APKMROCK1
SCHEMBL14894005 0.79 GFER (0.47) NPC1SMN1; SMN2L3MBTL1RAB9AKDR
SCHEMBL14894323 0.78 VCP (0.46) NPC1SMN1; SMN2L3MBTL1EGFRKDR
SCHEMBL14894295 0.76 BTK (0.42) BTKITKJAK3EGFRRAB9A
SCHEMBL14894519 0.74 CCR3 (0.43) BTKKDR
SCHEMBL14907685 0.72 BTK (0.41) BTKITKJAK3EGFR
SCHEMBL14894215 0.72 BTK (0.41) BTKITKJAK3EGFR

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 3381/4885JAK3 1195/4885

“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.