SCHEMBL18170918

SCHEMBL18170918

Nc1cccc(-c2ccc(NC(=O)c3ccc(NCCN4CCOCC4)cc3)c3c2CNC3=O)c1O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.43
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
KDR P35968 1/20 0.42
MAPK14 Q16539 3/20 0.42
EPHX2 P34913 4/20 0.40
TNF P01375 1/20 0.39
MAPK11 Q15759 1/20 0.39
BCL3 P20749 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
PARP1 P09874 1/20 0.39
TERT O14746 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL18170698 0.88 MAPK14 (0.44) HDAC1PIK3CDPIK3CAPIK3CBKDR
SCHEMBL18170599 0.86 KDR (0.53) PIK3CDPIK3CAPIK3CBKDRMAPK14
SCHEMBL18170964 0.85 ALDH1A1 (0.48) KDREPHX2BCL3ALDH1A1GAA
SCHEMBL18170618 0.84 ALDH1A1 (0.44) PIK3CDPIK3CAPIK3CBKDREPHX2
SCHEMBL18170667 0.83 KDR (0.43) PIK3CDPIK3CAPIK3CBKDRMAPK14
SCHEMBL18170791 0.83 MAPK14 (0.44) HDAC1PIK3CDPIK3CAPIK3CBKDR
SCHEMBL18170799 0.81 EPHX2 (0.50) KDRMAPK14EPHX2TNFMAPK11
SCHEMBL18170787 0.81 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBKDRMAPK14
SCHEMBL18170680 0.80 CHRNA7 (0.48) HDAC1PIK3CDPIK3CAPIK3CBKDR
SCHEMBL18170565 0.80 KDR (0.44) KDRALDH1A1

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 HDAC1 2587/4885PIK3CD 269/4885PIK3CA 286/4885

“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.