SCHEMBL18108658

SCHEMBL18108658

O=C(NCc1ccc(C(F)(F)F)nc1)c1ccc2[nH]nc(NC(=O)c3ccc(N4CCOCC4)cc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 3/20 0.53
▸ NTRK1 P04629 3/20 0.50
▸ INSR P06213 1/20 0.50
▸ IGF1R P08069 1/20 0.50
▸ AURKB Q96GD4 1/20 0.50
▸ ALK Q9UM73 1/20 0.50
▸ FLT3 P36888 6/20 0.48
▸ KIT P10721 3/20 0.48
▸ KDM1A O60341 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ MAPK8 P45983 1/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ KDR P35968 1/20 0.45
▸ ITK Q08881 1/20 0.44
▸ NTRK3 Q16288 1/20 0.44
▸ NTRK2 Q16620 1/20 0.44
▸ NAMPT P43490 2/20 0.43
▸ DGAT2 Q96PD7 1/20 0.43

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
SCHEMBL18108529 0.92 NTRK1 (0.61) AURKANTRK1INSRIGF1RAURKB
SCHEMBL18108782 0.90 AURKA (0.58) AURKANTRK1INSRIGF1RAURKB
SCHEMBL18108695 0.84 AURKA (0.71) AURKANTRK1INSRIGF1RAURKB
Trifluoroacetic Acid SCHEMBL18108683 0.84 AURKA (0.56) AURKANTRK1INSRIGF1RAURKB
SCHEMBL18120890 0.84 AURKA (0.59) AURKANTRK1INSRIGF1RAURKB
SCHEMBL18108770 0.83 AURKA (0.61) AURKANTRK1INSRIGF1RAURKB
SCHEMBL18108567 0.82 AURKA (0.55) AURKANTRK1INSRIGF1RAURKB
SCHEMBL18108768 0.81 AURKA (0.58) AURKANTRK1INSRIGF1RAURKB
SCHEMBL18108669 0.81 NTRK1 (0.66) AURKANTRK1INSRIGF1RAURKB
Trifluoroacetic Acid SCHEMBL18108771 0.80 AURKA (0.49) 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 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 AURKA 361/4885NTRK1 254/4885INSR 1627/4885
US-20160289196-A1 PYRAZOLE DERIVATIVES AS TNIK, IKKe AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TNIK, TNNI3K, TNK1 AURKA 374/4885NTRK1 238/4885INSR 1495/4885

“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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