SCHEMBL18170791

SCHEMBL18170791

O=C(Nc1ccc(-c2cccs2)c2c1C(=O)NC2)c1ccc(NCCN2CCOCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.44
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC2 Q92769 2/20 0.42
ERCC1 P07992 1/20 0.42
DNASE1 P24855 1/20 0.42
FEN1 P39748 1/20 0.42
ERCC4 Q92889 1/20 0.42
KDR P35968 1/20 0.41
EPHX2 P34913 3/20 0.41
TNF P01375 1/20 0.41
MAPK11 Q15759 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
BCL3 P20749 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40

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
SCHEMBL18170722 0.92 KDR (0.44) MAPK14HDAC1HDAC2KDR
SCHEMBL18170777 0.92 KDR (0.42) MAPK14HDAC1KDREPHX2
SCHEMBL18170599 0.88 KDR (0.53) MAPK14KDREPHX2TNFMAPK11
SCHEMBL18170667 0.85 KDR (0.43) MAPK14KDREPHX2TNFMAPK11
SCHEMBL18170686 0.85 KDR (0.49) MAPK14HDAC1HDAC2KDR
SCHEMBL18170698 0.85 MAPK14 (0.44) MAPK14HDAC1KDREPHX2TNF
SCHEMBL18170964 0.83 ALDH1A1 (0.48) LMNAKDREPHX2ALDH1A1GAA
SCHEMBL18170918 0.83 HDAC1 (0.43) MAPK14HDAC1KDREPHX2TNF
SCHEMBL18170799 0.83 EPHX2 (0.50) MAPK14KDREPHX2TNFMAPK11
SCHEMBL18170924 0.83 KDR (0.47) LMNAHDAC1HDAC2KDRALDH1A1

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-9856216-B2 Compounds as TNIK, IKKε and TBK1 inhibitors and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2018-01-02 US claimed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 US claimed
US-9856216-B2 Compounds as TNIK, IKKε and TBK1 inhibitors and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2018-01-02 US disclosed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 US disclosed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 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-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TNIK, TNK1, NFKBIA MAPK14 534/4885LMNA 2694/4885TSHR 1528/4885

“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.