SCHEMBL18170967

SCHEMBL18170967

CN1CCN(CCCNc2ccc(C(=O)Nc3ccc(-c4ccco4)c4c3C(=O)NC4)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.44
MAPK14 Q16539 2/20 0.39
CTNNB1 P35222 1/20 0.38
TCF7L2 Q9NQB0 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
CHRNA7 P36544 4/20 0.38
KCNH2 Q12809 4/20 0.38
KMT2A Q03164 1/20 0.37
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
PLK1 P53350 2/20 0.35
POLB P06746 1/20 0.35
INSR P06213 1/20 0.35
LCK P06239 1/20 0.35
LYN P07948 1/20 0.35
HCK P08631 1/20 0.35
SRC P12931 1/20 0.35

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
SCHEMBL18170702 0.95 KDR (0.45) KDRMAPK14HDAC3HDAC2
SCHEMBL18170492 0.94 KDR (0.43) KDRPIK3CDPIK3CAPIK3CBCHRNA7
SCHEMBL18170743 0.93 CHRNA7 (0.43) KDRPIK3CDPIK3CAPIK3CBCHRNA7
SCHEMBL18170659 0.92 PIK3CD (0.46) KDRMAPK14PIK3CDPIK3CAPIK3CB
SCHEMBL18170714 0.89 KDR (0.44) KDRCTNNB1TCF7L2CHRNA7KCNH2
SCHEMBL18170493 0.88 KDR (0.44) KDRCHRNA7KCNH2KMT2A
SCHEMBL18170494 0.88 KDR (0.44) KDRCHRNA7KCNH2KMT2A
SCHEMBL18170667 0.87 KDR (0.43) KDRMAPK14PIK3CDPIK3CAPIK3CB
SCHEMBL18170801 0.87 KDR (0.54) KDRMAPK14CTNNB1TCF7L2PIK3CD
SCHEMBL18170634 0.86 KDR (0.47) KDRKMT2APLK1POLB

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 1662/4885MAPK14 534/4885CTNNB1 1666/4885

“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.