SCHEMBL18170599

SCHEMBL18170599

O=C(Nc1ccc(-c2ccccc2)c2c1C(=O)NC2)c1ccc(NCCN2CCOCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.53
HPGD P15428 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
EPHX2 P34913 2/20 0.47
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
MAPK14 Q16539 3/20 0.45
TNF P01375 1/20 0.45
MAPK11 Q15759 1/20 0.45
POLB P06746 1/20 0.45
BCL3 P20749 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
TRPV1 Q8NER1 2/20 0.43
CHRNA7 P36544 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL18170787 0.95 PIK3CD (0.52) KDRHPGDCD274EPHX2PIK3CD
SCHEMBL18170443 0.92 KDR (0.55) KDRTRPV1CHRNA7KCNH2
SCHEMBL18170539 0.91 KDR (0.54) KDRTRPV1CHRNA7KCNH2
SCHEMBL18170931 0.91 KDR (0.54) KDRTRPV1CHRNA7KCNH2
SCHEMBL18170944 0.91 KDR (0.56) KDRMAPK14TNFMAPK11POLB
SCHEMBL18170799 0.89 EPHX2 (0.50) KDRHPGDCD274EPHX2MAPK14
SCHEMBL18170791 0.88 MAPK14 (0.44) KDREPHX2PIK3CDPIK3CAPIK3CB
SCHEMBL18170667 0.88 KDR (0.43) KDREPHX2PIK3CDPIK3CAPIK3CB
SCHEMBL18170964 0.87 ALDH1A1 (0.48) KDRHPGDCD274EPHX2BCL3
SCHEMBL18170491 0.87 KDR (0.53) KDRPIK3CDPIK3CAPIK3CBTRPV1

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 7 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-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
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 KDR 1662/4885HPGD 4720/4885CD274 3000/4885

“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.