SCHEMBL18170508

SCHEMBL18170508

Cc1cccc(Nc2ccc(NC(=O)c3ccc(NCCCN4CCCC4)cc3)c3c2CNC3=O)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.51
CHRNA7 P36544 3/20 0.40
KCNH2 Q12809 3/20 0.40
MAPT P10636 2/20 0.40
PLK1 P53350 2/20 0.40
INSR P06213 1/20 0.39
LCK P06239 1/20 0.39
LYN P07948 1/20 0.39
HCK P08631 1/20 0.39
SRC P12931 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39

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
SCHEMBL18170761 0.99 KDR (0.50) KDRCHRNA7KCNH2MAPTPLK1
SCHEMBL18170552 0.95 KDR (0.52) KDRMAPTLCKKDM4EALDH1A1
SCHEMBL18170953 0.94 KDR (0.51) KDRMAPTLCKKDM4EALDH1A1
SCHEMBL18170770 0.91 MAPT (0.47) KDRMAPTALDH1A1RAB9A
SCHEMBL18170823 0.91 MAPT (0.46) KDRCHRNA7KCNH2MAPTALDH1A1
SCHEMBL18170863 0.91 CHRNA7 (0.45) KDRCHRNA7KCNH2MAPTPIK3CD
SCHEMBL18171032 0.91 MAPT (0.46) KDRCHRNA7KCNH2MAPTKDM4E
SCHEMBL18170930 0.91 MAPT (0.45) KDRCHRNA7KCNH2MAPTKDM4E
SCHEMBL18171026 0.90 CHRNA7 (0.47) KDRCHRNA7KCNH2MAPT
Hydrochloric Acid SCHEMBL18170815 0.89 CHRNA7 (0.46) KDRCHRNA7KCNH2MAPT

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 1662/4885CHRNA7 2197/4885KCNH2 2704/4885

“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.