SCHEMBL18170978

SCHEMBL18170978

O=C(Nc1ccc(-c2cccc3ncoc23)c2c1C(=O)NC2)c1ccc(NCCCN2CCCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 13/20 0.41
KCNH2 Q12809 13/20 0.41
KDR P35968 2/20 0.39
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
CHRNA1 P02708 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
MAPT P10636 1/20 0.36
NAMPT P43490 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
SCHEMBL18170614 0.96 KDR (0.40) CHRNA7KCNH2KDRMAPTNAMPT
SCHEMBL18170885 0.96 KDR (0.40) CHRNA7KCNH2KDRMAPTNAMPT
SCHEMBL18170790 0.95 KDR (0.41) CHRNA7KCNH2KDRMAPTNAMPT
SCHEMBL18170556 0.84 KDR (0.43) KDR
SCHEMBL18170462 0.83 KDR (0.43) CHRNA7KCNH2KDRPIK3CDPIK3CA
SCHEMBL18170743 0.83 CHRNA7 (0.43) CHRNA7KCNH2KDRPIK3CDPIK3CA
Hydrochloric Acid SCHEMBL18170841 0.83 KDR (0.43) CHRNA7KCNH2KDRPIK3CDPIK3CA
SCHEMBL18170723 0.82 KDR (0.53) CHRNA7KCNH2KDRPIK3CDPIK3CA
SCHEMBL18170717 0.82 CASP3 (0.45) KDRCYP3A4
SCHEMBL18170703 0.82 KDR (0.43) CHRNA7KCNH2KDRNAMPT

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.