SCHEMBL18108698

SCHEMBL18108698

O=C(NCc1ncon1)c1ccc2[nH]nc(NC(=O)c3ccc(F)cc3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 5/20 0.45
▸ ROCK2 O75116 2/20 0.45
▸ CDC7 O00311 2/20 0.45
▸ DAPK3 O43293 2/20 0.45
▸ PRKD3 O94806 2/20 0.45
▸ MAP4K4 O95819 2/20 0.45
▸ PAK4 O96013 2/20 0.45
▸ PRKACA P17612 2/20 0.45
▸ FLT3 P36888 2/20 0.45
▸ CSNK1A1 P48729 2/20 0.45
▸ CDK8 P49336 2/20 0.45
▸ CLK2 P49760 2/20 0.45
▸ CDK9 P50750 2/20 0.45
▸ PRKX P51817 2/20 0.45
▸ CDK5 Q00535 2/20 0.45
▸ MAP4K2 Q12851 2/20 0.45
▸ DYRK1A Q13627 2/20 0.45
▸ PKN2 Q16513 2/20 0.45
▸ HIPK2 Q9H2X6 2/20 0.45
▸ STK17A Q9UEE5 2/20 0.45

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
SCHEMBL18120906 0.85 AURKA (0.52) FLT3NTRK1AURKAAURKBINSR
SCHEMBL18120913 0.83 AURKA (0.60) FLT3NTRK1AURKAAURKBINSR
Trifluoroacetic Acid SCHEMBL18108771 0.82 AURKA (0.49) FLT3NTRK1AURKAAURKBINSR
SCHEMBL18108756 0.81 MAPK1 (0.61) CDK7ROCK2CDC7DAPK3PRKD3
Trifluoroacetic Acid SCHEMBL18108620 0.81 NTRK1 (0.57) FLT3NTRK1AURKAAURKBINSR
SCHEMBL18108595 0.80 MAPK1 (0.60) CDK7ROCK2CDC7DAPK3PRKD3
SCHEMBL18120884 0.80 CDK7 (0.46) CDK7ROCK2CDC7DAPK3PRKD3
SCHEMBL18120885 0.80 NPC1 (0.57) CDK7ROCK2CDC7DAPK3PRKD3
SCHEMBL18108645 0.80 TTK (0.56) CDK7ROCK2CDC7DAPK3PRKD3
SCHEMBL18108725 0.79 CDK7 (0.45) CDK7ROCK2CDC7DAPK3PRKD3

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 CDK7 370/4885ROCK2 333/4885CDC7 546/4885
US-20160289196-A1 PYRAZOLE DERIVATIVES AS TNIK, IKKe AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TNIK, TNNI3K, TNK1 CDK7 390/4885ROCK2 335/4885CDC7 553/4885

“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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