SCHEMBL18170743

SCHEMBL18170743

O=C(Nc1ccc(-c2ccco2)c2c1C(=O)NC2)c1ccc(NCCCN2CCCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 11/20 0.43
KCNH2 Q12809 11/20 0.43
KDR P35968 2/20 0.43
ACP1 P24666 1/20 0.41
MAPT P10636 1/20 0.39
ADORA2A P29274 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
NAMPT P43490 1/20 0.38
CHRNA1 P02708 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL18170492 0.99 KDR (0.43) CHRNA7KCNH2KDRACP1MAPT
SCHEMBL18170494 0.95 KDR (0.44) CHRNA7KCNH2KDRADORA2ANAMPT
SCHEMBL18170493 0.95 KDR (0.44) CHRNA7KCNH2KDRADORA2ANAMPT
SCHEMBL18170714 0.94 KDR (0.44) CHRNA7KCNH2KDRADORA2ANAMPT
SCHEMBL18170967 0.93 KDR (0.44) CHRNA7KCNH2KDRPIK3CDPIK3CA
SCHEMBL18170659 0.93 PIK3CD (0.46) CHRNA7KCNH2KDRMAPTPIK3CD
SCHEMBL18170702 0.88 KDR (0.45) KDRADORA2ANAMPT
SCHEMBL18170667 0.88 KDR (0.43) CHRNA7KCNH2KDRPIK3CDPIK3CA
SCHEMBL18170723 0.87 KDR (0.53) CHRNA7KCNH2KDRMAPTPIK3CD
SCHEMBL18170491 0.86 KDR (0.53) CHRNA7KCNH2KDRMAPTPIK3CD

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.