SCHEMBL18170799

SCHEMBL18170799

O=C(Nc1ccc(Nc2ccccc2)c2c1C(=O)NC2)c1ccc(NCCN2CCOCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.50
POLB P06746 1/20 0.46
MAPK14 Q16539 3/20 0.45
BCL3 P20749 2/20 0.45
GAA P10253 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TNF P01375 1/20 0.44
MAPK11 Q15759 1/20 0.44
HPGD P15428 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
KDR P35968 1/20 0.44
KIT P10721 1/20 0.43
FLT3 P36888 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PARP1 P09874 1/20 0.42

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
SCHEMBL18170604 0.95 POLB (0.51) EPHX2POLBMAPK14BCL3GAA
SCHEMBL18170490 0.92 KDR (0.45) EPHX2POLBKDRMEN1KMT2A
SCHEMBL18170837 0.91 KDR (0.45) EPHX2POLBALDH1A1KDRMEN1
SCHEMBL18170541 0.91 KDR (0.45) EPHX2POLBALDH1A1KDRMEN1
Hydrochloric Acid SCHEMBL18170880 0.90 KDR (0.44) EPHX2POLBALDH1A1KDRMEN1
SCHEMBL18170465 0.90 KDR (0.46) EPHX2POLBMAPK14ALDH1A1KDR
SCHEMBL18170599 0.89 KDR (0.53) EPHX2POLBMAPK14BCL3GAA
SCHEMBL18170863 0.87 CHRNA7 (0.45) POLBKDRMAPT
SCHEMBL18171026 0.86 CHRNA7 (0.47) POLBKDRMAPT
SCHEMBL18170514 0.85 KDR (0.45) POLBMAPK14KDRKMT2A

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 EPHX2 4182/4885POLB 2948/4885MAPK14 534/4885

“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.