SCHEMBL18108657

SCHEMBL18108657

Cc1cc(C(=O)Nc2n[nH]c3ccc(C(=O)NCc4cccs4)cc23)ccc1N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 1/20 0.47
▸ AURKA O14965 3/20 0.46
▸ ALDH1A1 P00352 7/20 0.45
▸ HPGD P15428 5/20 0.45
▸ GAA P10253 4/20 0.45
▸ MAPT P10636 2/20 0.45
▸ ALOX15 P16050 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ AURKB Q96GD4 2/20 0.44
▸ RPS6KB1 P23443 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ NTRK1 P04629 1/20 0.42
▸ INSR P06213 1/20 0.42
▸ IGF1R P08069 1/20 0.42
▸ ALK Q9UM73 1/20 0.42

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
SCHEMBL18108693 0.93 TTK (0.48) TTKAURKAALDH1A1HPGDGAA
SCHEMBL18108667 0.89 AURKA (0.57) TTKAURKAALDH1A1HPGDAURKB
SCHEMBL18108598 0.88 AURKA (0.48) TTKAURKAALDH1A1HPGDGAA
SCHEMBL18108580 0.87 AURKA (0.51) TTKAURKAALDH1A1HPGDAURKB
SCHEMBL18108723 0.87 AURKA (0.49) TTKAURKAAURKBNTRK1INSR
SCHEMBL18108553 0.84 AURKA (0.60) TTKAURKAAURKBNTRK1INSR
SCHEMBL18108532 0.82 TTK (0.50) TTKAURKAALDH1A1HPGDGAA
SCHEMBL18108662 0.81 KIT (0.54) TTKAURKAALDH1A1MAPK1AURKB
SCHEMBL18108735 0.81 HPGD (0.59) TTKAURKAALDH1A1HPGDGAA
SCHEMBL18108654 0.81 FLT3 (0.50) TTKAURKAALDH1A1NTRK1RAB9A

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 TTK 63/4885AURKA 361/4885ALDH1A1 4754/4885
US-20160289196-A1 PYRAZOLE DERIVATIVES AS TNIK, IKKe AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TNIK, TNNI3K, TNK1 TTK 48/4885AURKA 374/4885ALDH1A1 4774/4885

“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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