SCHEMBL18120905

SCHEMBL18120905

O=C(NCc1nccs1)c1ccc2[nH]nc(NC(=O)c3ccc(N4CCOCC4)cc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 5/20 0.53
▸ FLT3 P36888 13/20 0.49
▸ KIT P10721 1/20 0.49
▸ NTRK1 P04629 2/20 0.49
▸ INSR P06213 1/20 0.49
▸ IGF1R P08069 1/20 0.49
▸ AURKB Q96GD4 1/20 0.49
▸ ALK Q9UM73 1/20 0.49
▸ KDR P35968 1/20 0.47

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
Trifluoroacetic Acid SCHEMBL18108816 0.95 AURKA (0.51) AURKAFLT3KITNTRK1INSR
SCHEMBL18120904 0.92 AURKA (0.59) AURKAFLT3KITNTRK1INSR
Trifluoroacetic Acid SCHEMBL18108615 0.87 AURKA (0.56) AURKAFLT3KITNTRK1INSR
SCHEMBL18108667 0.86 AURKA (0.57) AURKAFLT3KITNTRK1INSR
SCHEMBL18108624 0.86 AURKA (0.58) AURKAFLT3KITNTRK1INSR
SCHEMBL18108770 0.84 AURKA (0.61) AURKAFLT3KITNTRK1INSR
SCHEMBL18108768 0.84 AURKA (0.58) AURKAFLT3KITNTRK1INSR
SCHEMBL18108695 0.84 AURKA (0.71) AURKAFLT3KITNTRK1INSR
SCHEMBL18108567 0.83 AURKA (0.55) AURKAFLT3KITNTRK1INSR
SCHEMBL18120911 0.82 AURKA (0.54) AURKAFLT3KITNTRK1INSR

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 3 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 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 361/4885FLT3 1518/4885KIT 728/4885
US-20160289196-A1 PYRAZOLE DERIVATIVES AS TNIK, IKKe AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TNIK, TNNI3K, TNK1 AURKA 374/4885FLT3 1550/4885KIT 687/4885

“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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