SCHEMBL18108770

SCHEMBL18108770

O=C(NCc1ccncc1)c1ccc2[nH]nc(NC(=O)c3ccc(N4CCOCC4)cc3)c2c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 3/20 0.61
▸ MAPK3 P27361 2/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ NAMPT P43490 1/20 0.52
▸ NTRK1 P04629 1/20 0.51
▸ INSR P06213 1/20 0.51
▸ IGF1R P08069 1/20 0.51
▸ AURKB Q96GD4 1/20 0.51
▸ ALK Q9UM73 1/20 0.51
▸ FLT3 P36888 9/20 0.51
▸ KIT P10721 2/20 0.51
▸ KDM1A O60341 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ KDR P35968 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ MAPK8 P45983 1/20 0.49
▸ MAPK10 P53779 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL18108695 0.92 AURKA (0.71) AURKAMAPK3MAPK1NTRK1INSR
SCHEMBL18108782 0.91 AURKA (0.58) AURKANAMPTNTRK1INSRIGF1R
SCHEMBL18108628 0.90 AURKA (0.64) AURKAMAPK3MAPK1NTRK1INSR
SCHEMBL18120890 0.90 AURKA (0.59) AURKAMAPK3MAPK1NAMPTNTRK1
SCHEMBL18108567 0.89 AURKA (0.55) AURKAMAPK3MAPK1NTRK1INSR
SCHEMBL18108768 0.87 AURKA (0.58) AURKANTRK1INSRIGF1RAURKB
SCHEMBL18108667 0.86 AURKA (0.57) AURKANTRK1INSRIGF1RAURKB
SCHEMBL18108624 0.85 AURKA (0.58) AURKANTRK1INSRIGF1RAURKB
Trifluoroacetic Acid SCHEMBL18108683 0.85 AURKA (0.56) AURKAMAPK3MAPK1NAMPTNTRK1
SCHEMBL18120905 0.84 AURKA (0.53) AURKANTRK1INSRIGF1RAURKB

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 361/4885MAPK3 580/4885MAPK1 942/4885
US-20160289196-A1 PYRAZOLE DERIVATIVES AS TNIK, IKKe AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TNIK, TNNI3K, TNK1 AURKA 374/4885MAPK3 554/4885MAPK1 996/4885

“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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