SCHEMBL18170625

SCHEMBL18170625

COc1cccc(-c2ccc(NC(=O)c3ccc(NCCCN4CCOCC4)cc3)c3c2CNC3=O)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.45
KCNH2 Q12809 2/20 0.45
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 5/20 0.43
RAD52 P43351 1/20 0.42
GAA P10253 1/20 0.42
BCL3 P20749 1/20 0.42
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL18170618 0.96 ALDH1A1 (0.44) CHRNA7KCNH2PIK3CDPIK3CAPIK3CB
SCHEMBL18170606 0.94 KDR (0.42) CHRNA7KCNH2MAPTALDH1A1CYP2D6
SCHEMBL18170680 0.94 CHRNA7 (0.48) CHRNA7KCNH2PIK3CDPIK3CAPIK3CB
SCHEMBL18170856 0.93 KDR (0.42) CHRNA7KCNH2MAPTALDH1A1CYP2D6
SCHEMBL18170915 0.93 CHRNA7 (0.43) CHRNA7KCNH2CYP2D6SMN1; SMN2KDR
SCHEMBL18170829 0.89 KDR (0.43) CHRNA7KCNH2LMNAMAPTALDH1A1
SCHEMBL18170964 0.89 ALDH1A1 (0.48) CHRNA7KCNH2LMNAMAPTALDH1A1
SCHEMBL18170843 0.88 KDR (0.43) CHRNA7KCNH2LMNAMAPTALDH1A1
SCHEMBL18171034 0.88 KDR (0.43) CHRNA7KCNH2LMNAMAPTALDH1A1
SCHEMBL18170640 0.88 KDR (0.43) ALDH1A1SMN1; SMN2KDR

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 CHRNA7 2197/4885KCNH2 2704/4885PIK3CD 269/4885

“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.