SCHEMBL18108652

SCHEMBL18108652

CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(C(=O)NCc5ccccc5)cc34)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.72
KIT P10721 9/20 0.65
FLT3 P36888 9/20 0.65
INSR P06213 3/20 0.65
ALK Q9UM73 3/20 0.65
NTRK1 P04629 2/20 0.65
IGF1R P08069 2/20 0.65
AURKB Q96GD4 1/20 0.65
FLT1 P17948 1/20 0.55
KDR P35968 1/20 0.55

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
SCHEMBL18108628 0.92 AURKA (0.64) AURKAKITFLT3INSRALK
SCHEMBL18108543 0.91 ALK (0.73) AURKAKITFLT3INSRALK
SCHEMBL18108794 0.91 ALK (0.70) AURKAKITFLT3INSRALK
SCHEMBL18120891 0.91 AURKA (0.60) AURKAKITFLT3INSRALK
SCHEMBL18108695 0.90 AURKA (0.71) AURKAKITFLT3INSRALK
SCHEMBL18108669 0.90 NTRK1 (0.66) AURKAKITFLT3INSRALK
SCHEMBL18108706 0.89 AURKA (0.62) AURKAKITFLT3INSRALK
SCHEMBL18108761 0.88 NTRK1 (0.63) AURKAKITFLT3INSRALK
SCHEMBL18120892 0.88 AURKA (0.59) AURKAKITFLT3INSRALK
Trifluoroacetic Acid SCHEMBL18108594 0.88 NTRK1 (0.57) AURKAKITFLT3INSRALK

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