SCHEMBL18170787

SCHEMBL18170787

O=C(Nc1ccc(-c2ccccc2)c2c1C(=O)NC2)c1ccc(NCCCN2CCOCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.52
PIK3CA P42336 1/20 0.52
PIK3CB P42338 1/20 0.52
KDR P35968 2/20 0.51
POLB P06746 1/20 0.50
CHRNA7 P36544 2/20 0.48
KCNH2 Q12809 2/20 0.48
HPGD P15428 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EPHX2 P34913 1/20 0.44
NAMPT P43490 1/20 0.43
MAPK14 Q16539 2/20 0.43
TNF P01375 1/20 0.43
MAPK11 Q15759 1/20 0.43
AVPR2 P30518 1/20 0.43
BCL3 P20749 1/20 0.43
TRPV1 Q8NER1 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
SCHEMBL18170599 0.95 KDR (0.53) PIK3CDPIK3CAPIK3CBKDRPOLB
SCHEMBL18170491 0.93 KDR (0.53) PIK3CDPIK3CAPIK3CBKDRCHRNA7
SCHEMBL18170723 0.92 KDR (0.53) PIK3CDPIK3CAPIK3CBKDRCHRNA7
SCHEMBL18170801 0.91 KDR (0.54) PIK3CDPIK3CAPIK3CBKDRPOLB
SCHEMBL18170604 0.89 POLB (0.51) PIK3CDPIK3CAPIK3CBKDRPOLB
SCHEMBL18170659 0.88 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBKDRPOLB
SCHEMBL18170680 0.88 CHRNA7 (0.48) PIK3CDPIK3CAPIK3CBKDRPOLB
SCHEMBL18170443 0.87 KDR (0.55) KDRCHRNA7KCNH2TRPV1
SCHEMBL18170539 0.86 KDR (0.54) KDRCHRNA7KCNH2TRPV1
SCHEMBL18170931 0.86 KDR (0.54) KDRCHRNA7KCNH2TRPV1

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 PIK3CD 269/4885PIK3CA 286/4885PIK3CB 260/4885

“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.