SCHEMBL18170604

SCHEMBL18170604

O=C(Nc1ccc(Nc2ccccc2)c2c1C(=O)NC2)c1ccc(NCCCN2CCOCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
EPHX2 P34913 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CHRNA7 P36544 1/20 0.45
KCNH2 Q12809 1/20 0.45
MAPT P10636 4/20 0.44
LMNA P02545 3/20 0.44
GAA P10253 2/20 0.44
PKM P14618 1/20 0.44
NAMPT P43490 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
BCL3 P20749 1/20 0.43
MAPK14 Q16539 1/20 0.43
HIF1A Q16665 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
SCHEMBL18170799 0.95 EPHX2 (0.50) POLBEPHX2ALDH1A1MAPTGAA
SCHEMBL18170863 0.92 CHRNA7 (0.45) POLBPIK3CDPIK3CAPIK3CBCHRNA7
SCHEMBL18171026 0.92 CHRNA7 (0.47) POLBCHRNA7KCNH2MAPTNAMPT
SCHEMBL18170514 0.91 KDR (0.45) POLBCHRNA7KCNH2KMT2AMAPK14
Hydrochloric Acid SCHEMBL18170815 0.91 CHRNA7 (0.46) POLBCHRNA7KCNH2MAPTNAMPT
SCHEMBL18170787 0.89 PIK3CD (0.52) POLBPIK3CDPIK3CAPIK3CBEPHX2
SCHEMBL18170490 0.87 KDR (0.45) POLBEPHX2SMN1; SMN2CHRNA7KCNH2
SCHEMBL18170541 0.86 KDR (0.45) POLBEPHX2ALDH1A1CHRNA7KCNH2
SCHEMBL18170837 0.86 KDR (0.45) POLBEPHX2ALDH1A1CHRNA7KCNH2
Hydrochloric Acid SCHEMBL18170880 0.85 KDR (0.44) POLBEPHX2ALDH1A1CHRNA7KCNH2

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 POLB 2948/4885PIK3CD 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.