SCHEMBL18171027

SCHEMBL18171027

Cc1cccc(Nc2ccc(NC(=O)c3ccc(NCCCN4CCCCC4)cc3)c3c2CNC3=O)c1C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.41
KCNH2 Q12809 8/20 0.41
KDR P35968 2/20 0.41
MAPT P10636 2/20 0.39
HRH3 Q9Y5N1 1/20 0.38
MAPK14 Q16539 1/20 0.38
NAMPT P43490 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 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
SCHEMBL18170645 0.99 KDR (0.41) CHRNA7KCNH2KDRMAPTHRH3
SCHEMBL18170610 0.95 KDR (0.41) KDRMAPTMAPK14SMN1; SMN2LMNA
SCHEMBL18171033 0.94 KDR (0.42) KDRMAPTMAPK14SMN1; SMN2LMNA
SCHEMBL18170660 0.94 CHRNA7 (0.42) CHRNA7KCNH2KDRMAPTHRH3
SCHEMBL18170875 0.93 KDR (0.42) CHRNA7KCNH2KDRMAPTHRH3
SCHEMBL18170577 0.89 KDR (0.42) KDRMAPTSMN1; SMN2LMNATHRB
SCHEMBL18170761 0.88 KDR (0.50) CHRNA7KCNH2KDRMAPTSMN1; SMN2
SCHEMBL18170854 0.88 KDR (0.43) KDRMAPTSMN1; SMN2LMNATHRB
SCHEMBL18170508 0.87 KDR (0.51) CHRNA7KCNH2KDRMAPT
SCHEMBL18171026 0.87 CHRNA7 (0.47) CHRNA7KCNH2KDRMAPTNAMPT

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 2704/4885KDR 1662/4885

“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.