SCHEMBL18170856

SCHEMBL18170856

COc1cccc(-c2ccc(NC(=O)c3ccc(NCCCN4CCN(C)CC4)cc3)c3c2CNC3=O)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.42
NAMPT P43490 1/20 0.39
ADRA1D P25100 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38
MAPK14 Q16539 1/20 0.38
LCK P06239 1/20 0.38
DRD2 P14416 3/20 0.38
DRD3 P35462 3/20 0.38
MAP3K7 O43318 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
SLC2A1 P11166 1/20 0.37
CHRNA7 P36544 2/20 0.37
KCNH2 Q12809 2/20 0.37
DRD4 P21917 2/20 0.37
CHRNA1 P02708 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL18170640 0.95 KDR (0.43) KDRNAMPTADRA1DADRA1AADRA1B
SCHEMBL18170606 0.95 KDR (0.42) KDRNAMPTDRD2DRD3ALDH1A1
SCHEMBL18170915 0.94 CHRNA7 (0.43) KDRDRD2DRD3SMN1; SMN2CHRNA7
SCHEMBL18170526 0.93 KDR (0.43) KDRADRA1DADRA1AADRA1BMAPK14
SCHEMBL18170625 0.93 CHRNA7 (0.45) KDRALDH1A1SMN1; SMN2MAPTCHRNA7
SCHEMBL18170829 0.90 KDR (0.43) KDRNAMPTDRD2DRD3ALDH1A1
SCHEMBL18170843 0.90 KDR (0.43) KDRNAMPTALDH1A1SMN1; SMN2MAPT
SCHEMBL18171034 0.90 KDR (0.43) KDRNAMPTALDH1A1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL18170861 0.90 KDR (0.43) KDRNAMPTDRD2DRD3ALDH1A1
SCHEMBL18170618 0.88 ALDH1A1 (0.44) KDRALDH1A1SMN1; SMN2MAPTCHRNA7

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 KDR 1662/4885NAMPT 2189/4885ADRA1D 4623/4885

“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.