SCHEMBL18108667

SCHEMBL18108667

O=C(NCc1cccs1)c1ccc2[nH]nc(NC(=O)c3ccc(N4CCOCC4)cc3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 8/20 0.57
▸ TTK P33981 1/20 0.51
▸ FLT3 P36888 6/20 0.50
▸ NTRK1 P04629 3/20 0.50
▸ KIT P10721 2/20 0.50
▸ INSR P06213 2/20 0.50
▸ AURKB Q96GD4 2/20 0.50
▸ IGF1R P08069 1/20 0.50
▸ ALK Q9UM73 1/20 0.50
▸ KDR P35968 2/20 0.48
▸ ABL1 P00519 1/20 0.48
▸ BCR P11274 1/20 0.48
▸ PLK1 P53350 1/20 0.48
▸ HPGD P15428 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CDC7 O00311 1/20 0.46
▸ CHEK1 O14757 1/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ PAK4 O96013 1/20 0.46
▸ PRKCB P05771 1/20 0.46

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
SCHEMBL18108580 0.94 AURKA (0.51) AURKATTKFLT3NTRK1KIT
SCHEMBL18108553 0.92 AURKA (0.60) AURKATTKFLT3NTRK1KIT
SCHEMBL18108532 0.92 TTK (0.50) AURKATTKFLT3NTRK1KIT
SCHEMBL18108723 0.92 AURKA (0.49) AURKATTKFLT3NTRK1KIT
SCHEMBL18108598 0.91 AURKA (0.48) AURKATTKFLT3NTRK1KIT
SCHEMBL18108657 0.89 TTK (0.47) AURKATTKFLT3NTRK1KIT
SCHEMBL18108743 0.88 AURKA (0.55) AURKAFLT3NTRK1KITINSR
SCHEMBL18108695 0.87 AURKA (0.71) AURKAFLT3NTRK1KITINSR
SCHEMBL18120894 0.87 TTK (0.48) AURKATTKFLT3NTRK1KIT
SCHEMBL18120895 0.87 FGFR1 (0.48) AURKATTKFLT3NTRK1KIT

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 6 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

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 361/4885TTK 63/4885FLT3 1518/4885
US-20160289196-A1 PYRAZOLE DERIVATIVES AS TNIK, IKKe AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TNIK, TNNI3K, TNK1 AURKA 374/4885TTK 48/4885FLT3 1550/4885

“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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