SCHEMBL1549953

SCHEMBL1549953

COC(=O)c1ccc(-c2ccc(C#N)cn2)cn1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.49
MAPK1 P28482 2/20 0.49
HPGD P15428 3/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 1/20 0.47
EGLN2 Q96KS0 1/20 0.46
DYRK1A Q13627 1/20 0.44
ALOX5AP P20292 1/20 0.41
P2RX7 Q99572 1/20 0.40
NAAA Q02083 2/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
PDE10A Q9Y233 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
SCHEMBL991150 0.90 MAPK1 (0.59) EGLN1MAPK1KDM4EALDH1A1L3MBTL1
SCHEMBL30546439 0.90 MAPK1 (0.59) EGLN1MAPK1KDM4EALDH1A1L3MBTL1
SCHEMBL6687942 0.84 KDM4E (0.51) MAPK1HPGDKDM4EALDH1A1L3MBTL1
SCHEMBL1550565 0.82 EGLN1 (0.53) EGLN1HPGDKDM4EALDH1A1L3MBTL1
SCHEMBL20862037 0.80 KDM4E (0.50) EGLN1HPGDKDM4EALDH1A1L3MBTL1
SCHEMBL5937206 0.79 RXFP1 (0.50) MAPK1HPGDKDM4EALDH1A1L3MBTL1
SCHEMBL7942053 0.78 MAPK1 (0.53) EGLN1MAPK1HPGDKDM4EL3MBTL1
SCHEMBL15288329 0.78 MKNK1 (0.59) EGLN2
SCHEMBL31393700 0.77 MAPK1 (0.51) MAPK1HPGDKDM4EL3MBTL1DYRK1A
SCHEMBL9024311 0.77 KDM4E (0.56) EGLN1HPGDKDM4EALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2312947-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2014-01-01 EP disclosed
EP-2312947-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2014-01-01 EP disclosed
US-8450484-B2 TRPV4 antagonists GlaxoSmithKline, LLC (US) 2013-05-28 US disclosed
US-8450484-B2 TRPV4 antagonists GlaxoSmithKline, LLC (US) 2013-05-28 US disclosed
US-8450484-B2 TRPV4 antagonists GlaxoSmithKline, LLC (US) 2013-05-28 US disclosed
US-20110130400-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC 2011-06-02 US disclosed
US-20110130400-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC 2011-06-02 US disclosed
US-20110130400-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC 2011-06-02 US disclosed
EP-2312947-A1 TRPV4 ANTAGONISTS GlaxoSmithKline LLC (US) 2011-04-27 EP disclosed
WO-2010011914-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-01-28 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-20110130400-A1 TRPV4 ANTAGONISTS TRPV4, TRPV2, TRPV1 EGLN1 3000/4885MAPK1 2285/4885HPGD 1011/4885

“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.