SCHEMBL18170645

SCHEMBL18170645

Cc1cccc(Nc2ccc(NC(=O)c3ccc(NCCCN4CCCC4)cc3)c3c2CNC3=O)c1C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.41
CHRNA7 P36544 6/20 0.39
KCNH2 Q12809 6/20 0.39
MAPK14 Q16539 1/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
SMYD2 Q9NRG4 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL18171027 0.99 CHRNA7 (0.41) KDRCHRNA7KCNH2MAPK14MAPT
SCHEMBL18171033 0.95 KDR (0.42) KDRMAPK14MAPTSMN1; SMN2LMNA
SCHEMBL18170610 0.94 KDR (0.41) KDRMAPK14MAPTSMN1; SMN2LMNA
SCHEMBL18170875 0.94 KDR (0.42) KDRCHRNA7KCNH2MAPK14MAPT
SCHEMBL18170660 0.93 CHRNA7 (0.42) KDRCHRNA7KCNH2MAPK14MAPT
SCHEMBL18170854 0.89 KDR (0.43) KDRMAPTSMN1; SMN2LMNATHRB
SCHEMBL18170508 0.88 KDR (0.51) KDRCHRNA7KCNH2MAPTPIK3CD
SCHEMBL18170577 0.88 KDR (0.42) KDRMAPTSMN1; SMN2LMNATHRB
SCHEMBL18170761 0.87 KDR (0.50) KDRCHRNA7KCNH2MAPTSMN1; SMN2
SCHEMBL18170863 0.87 CHRNA7 (0.45) KDRCHRNA7KCNH2MAPTPIK3CD

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.