SCHEMBL18108598

SCHEMBL18108598

Cc1cc(N2CCOCC2)ccc1C(=O)Nc1n[nH]c2ccc(C(=O)NCc3cccs3)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 3/20 0.48
▸ INSR P06213 6/20 0.48
▸ ALK Q9UM73 6/20 0.48
▸ IGF1R P08069 4/20 0.48
▸ TTK P33981 1/20 0.46
▸ FLT3 P36888 8/20 0.46
▸ NTRK1 P04629 2/20 0.45
▸ AURKB Q96GD4 2/20 0.45
▸ PLK4 O00444 1/20 0.45
▸ DAPK3 O43293 1/20 0.45
▸ JAK2 O60674 1/20 0.45
▸ MAP4K4 O95819 1/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ PRKCG P05129 1/20 0.45
▸ LCK P06239 1/20 0.45
▸ FYN P06241 1/20 0.45
▸ CSF1R P07333 1/20 0.45
▸ LYN P07948 1/20 0.45
▸ RET P07949 1/20 0.45
▸ MET P08581 1/20 0.45

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
SCHEMBL18108751 0.93 ALK (0.51) AURKAINSRALKIGF1RTTK
SCHEMBL18108723 0.93 AURKA (0.49) AURKAINSRALKIGF1RTTK
SCHEMBL18108667 0.91 AURKA (0.57) AURKAINSRALKIGF1RTTK
SCHEMBL18108580 0.89 AURKA (0.51) AURKAINSRALKIGF1RTTK
SCHEMBL18108657 0.88 TTK (0.47) AURKAINSRALKIGF1RTTK
SCHEMBL18108553 0.86 AURKA (0.60) AURKAINSRALKIGF1RTTK
SCHEMBL18108821 0.85 ALK (0.54) AURKAINSRALKIGF1RFLT3
SCHEMBL18108532 0.84 TTK (0.50) AURKAINSRALKIGF1RTTK
SCHEMBL18108681 0.81 AURKA (0.56) AURKAINSRALKIGF1RFLT3
SCHEMBL18108693 0.80 TTK (0.48) AURKAINSRALKIGF1RTTK

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10294207-B2 Pyrazole derivatives as TNIK, IKKϵ and TBK1 inhibitor and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2019-05-21 — — US claimed
US-20160289196-A1 PYRAZOLE DERIVATIVES AS TNIK, IKKe AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-06 — — US claimed
US-10294207-B2 Pyrazole derivatives as TNIK, IKKϵ and TBK1 inhibitor and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2019-05-21 — — US disclosed
US-10294207-B2 Pyrazole derivatives as TNIK, IKKϵ and TBK1 inhibitor and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2019-05-21 — — US disclosed
US-20160289196-A1 PYRAZOLE DERIVATIVES AS TNIK, IKKe AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-06 — — US disclosed
US-20160289196-A1 PYRAZOLE DERIVATIVES AS TNIK, IKKe AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-06 — — US disclosed
US-20160289196-A1 PYRAZOLE DERIVATIVES AS TNIK, IKKe AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-06 — — 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 (2 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-10294207-B2 Pyrazole derivatives as TNIK, IKKϵ and TBK1 inhibitor and pharmaceutical composition comprising same TNIK, TNNI3K, TNK1 AURKA 361/4885INSR 1627/4885ALK 598/4885
US-20160289196-A1 PYRAZOLE DERIVATIVES AS TNIK, IKKe AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TNIK, TNNI3K, TNK1 AURKA 374/4885INSR 1495/4885ALK 581/4885

“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.

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