SCHEMBL18108541

SCHEMBL18108541

O=C(NCc1cccs1)c1ccc2[nH]nc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.66
▸ TTK P33981 1/20 0.53
▸ HPGD P15428 5/20 0.49
▸ TP53 P04637 1/20 0.49
▸ CDK2 P24941 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ PKM P14618 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ MAPT P10636 4/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 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
SCHEMBL18108746 0.93 THRB (0.55) THRBTTKHPGDTP53CDK2
SCHEMBL18108735 0.89 HPGD (0.59) THRBTTKHPGDALDH1A1SMN1; SMN2
SCHEMBL18108621 0.88 TTK (0.57) THRBTTKHPGDALDH1A1SMN1; SMN2
SCHEMBL18108645 0.87 TTK (0.56) THRBTTKHPGDCDK2ALDH1A1
SCHEMBL18108561 0.87 TTK (0.58) THRBTTKHPGDALDH1A1SMN1; SMN2
SCHEMBL18108682 0.85 TTK (0.54) THRBTTKHPGDALDH1A1SMN1; SMN2
SCHEMBL18108732 0.84 TTK (0.54) THRBTTKHPGDALDH1A1SMN1; SMN2
SCHEMBL18108525 0.84 TTK (0.54) TTKHPGDTP53ALDH1A1SMN1; SMN2
SCHEMBL18108589 0.84 TTK (0.54) THRBTTKHPGDALDH1A1SMN1; SMN2
SCHEMBL18120915 0.82 TTK (0.49) THRBTTKHPGDALDH1A1SMN1; SMN2

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 677/4885TTK 63/4885HPGD 4388/4885
US-20160289196-A1 PYRAZOLE DERIVATIVES AS TNIK, IKKe AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TNIK, TNNI3K, TNK1 THRB 738/4885TTK 48/4885HPGD 4366/4885

“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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