SCHEMBL18108702

SCHEMBL18108702

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

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 12/20 0.57
▸ AURKA O14965 4/20 0.52
▸ NTRK1 P04629 3/20 0.52
▸ INSR P06213 1/20 0.52
▸ IGF1R P08069 1/20 0.52
▸ AURKB Q96GD4 1/20 0.52
▸ ALK Q9UM73 1/20 0.52
▸ KDR P35968 1/20 0.52
▸ KIT P10721 1/20 0.50
▸ FGFR1 P11362 1/20 0.50
▸ NTRK3 Q16288 1/20 0.47
▸ NTRK2 Q16620 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 SCHEMBL18108703 0.94 FLT3 (0.52) FLT3AURKANTRK1INSRIGF1R
SCHEMBL18120908 0.91 AURKA (0.63) FLT3AURKANTRK1INSRIGF1R
SCHEMBL18120912 0.88 FLT3 (0.55) FLT3AURKANTRK1INSRIGF1R
Trifluoroacetic Acid SCHEMBL18108601 0.86 AURKA (0.59) FLT3AURKANTRK1INSRIGF1R
SCHEMBL18108695 0.84 AURKA (0.71) FLT3AURKANTRK1INSRIGF1R
Trifluoroacetic Acid SCHEMBL18108600 0.83 FLT3 (0.50) FLT3AURKANTRK1INSRIGF1R
SCHEMBL18120896 0.83 FLT3 (0.60) FLT3AURKANTRK1INSRIGF1R
SCHEMBL18108770 0.83 AURKA (0.61) FLT3AURKANTRK1INSRIGF1R
SCHEMBL18108549 0.83 CDK7 (0.49) FLT3AURKANTRK1INSRIGF1R
SCHEMBL18108681 0.82 AURKA (0.56) FLT3AURKANTRK1INSRIGF1R

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 5 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-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 FLT3 1518/4885AURKA 361/4885NTRK1 254/4885
US-20160289196-A1 PYRAZOLE DERIVATIVES AS TNIK, IKKe AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TNIK, TNNI3K, TNK1 FLT3 1550/4885AURKA 374/4885NTRK1 238/4885

“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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