SCHEMBL18108746

SCHEMBL18108746

O=C(NCc1cccs1)c1ccc2[nH]nc(NC(=O)c3cccc([N+](=O)[O-])c3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.55
▸ PKM P14618 3/20 0.54
▸ TTK P33981 1/20 0.53
▸ HPGD P15428 4/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CDK2 P24941 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ GLA P06280 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ PARP1 P09874 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
SCHEMBL18108541 0.93 THRB (0.66) THRBPKMTTKHPGDTP53
SCHEMBL18108735 0.87 HPGD (0.59) THRBTTKHPGDMAPTALDH1A1
SCHEMBL18108621 0.84 TTK (0.57) THRBPKMTTKHPGDMAPT
SCHEMBL18108561 0.83 TTK (0.58) THRBPKMTTKHPGDMAPT
SCHEMBL18108645 0.83 TTK (0.56) THRBTTKHPGDCDK2MAPT
SCHEMBL2419952 0.83 THRB (0.74) THRBPKMHPGDTP53CYP1A2
SCHEMBL18108682 0.82 TTK (0.54) THRBPKMTTKHPGDMAPT
SCHEMBL18108732 0.81 TTK (0.54) THRBPKMTTKHPGDMAPT
SCHEMBL18108589 0.81 TTK (0.54) THRBPKMTTKHPGDMAPT
SCHEMBL18108525 0.81 TTK (0.54) TTKHPGDTP53MAPTALDH1A1

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 THRB 677/4885PKM 1598/4885TTK 63/4885
US-20160289196-A1 PYRAZOLE DERIVATIVES AS TNIK, IKKe AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TNIK, TNNI3K, TNK1 THRB 738/4885PKM 1533/4885TTK 48/4885

“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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