SCHEMBL18108561

SCHEMBL18108561

Nc1ccc(C(=O)Nc2n[nH]c3ccc(C(=O)NCc4cccs4)cc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 1/20 0.58
▸ HPGD P15428 7/20 0.48
▸ PYGM P11217 1/20 0.46
▸ MAPK1 P28482 4/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ JAK2 O60674 2/20 0.45
▸ JAK1 P23458 2/20 0.45
▸ THRB P10828 1/20 0.45
▸ MAPK3 P27361 1/20 0.45
▸ RAB9A P51151 2/20 0.44
▸ NAMPT P43490 1/20 0.44
▸ USP2 O75604 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ MEN1 O00255 1/20 0.43

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
SCHEMBL18108735 0.92 HPGD (0.59) TTKHPGDPYGMMAPK1ALDH1A1
SCHEMBL18108621 0.91 TTK (0.57) TTKHPGDPYGMMAPK1ALDH1A1
SCHEMBL18108645 0.90 TTK (0.56) TTKHPGDPYGMMAPK1ALDH1A1
SCHEMBL18108682 0.89 TTK (0.54) TTKHPGDPYGMMAPK1ALDH1A1
SCHEMBL18108732 0.88 TTK (0.54) TTKHPGDPYGMMAPK1ALDH1A1
SCHEMBL18108525 0.88 TTK (0.54) TTKHPGDMAPK1ALDH1A1KDM4E
SCHEMBL18108589 0.88 TTK (0.54) TTKHPGDPYGMMAPK1ALDH1A1
SCHEMBL18108541 0.87 THRB (0.66) TTKHPGDMAPK1ALDH1A1KDM4E
SCHEMBL18108631 0.85 TTK (0.51) TTKHPGDPYGMMAPK1ALDH1A1
SCHEMBL18108667 0.85 AURKA (0.57) TTKHPGDALDH1A1JAK2

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 63/4885HPGD 4388/4885PYGM 1276/4885
US-20160289196-A1 PYRAZOLE DERIVATIVES AS TNIK, IKKe AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TNIK, TNNI3K, TNK1 TTK 48/4885HPGD 4366/4885PYGM 1325/4885

“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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