SCHEMBL18108595

SCHEMBL18108595

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 9/20 0.60
▸ MAPK3 P27361 7/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ MAPK14 Q16539 1/20 0.56
▸ NAMPT P43490 3/20 0.54
▸ ROCK2 O75116 2/20 0.50
▸ CDK7 P50613 2/20 0.50
▸ CDC7 O00311 1/20 0.50
▸ DAPK3 O43293 1/20 0.50
▸ PRKD3 O94806 1/20 0.50
▸ MAP4K4 O95819 1/20 0.50
▸ PAK4 O96013 1/20 0.50
▸ PIM1 P11309 1/20 0.50
▸ PRKACA P17612 1/20 0.50
▸ CDK2 P24941 1/20 0.50
▸ FLT3 P36888 1/20 0.50
▸ CSNK1A1 P48729 1/20 0.50
▸ CDK8 P49336 1/20 0.50
▸ CLK2 P49760 1/20 0.50

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
SCHEMBL18108756 0.91 MAPK1 (0.61) MAPK1MAPK3ROCK2CDK7CDC7
SCHEMBL18108646 0.90 HDAC6 (0.52) MAPK1MAPK3L3MBTL1MAPK14ROCK2
SCHEMBL8256906 0.86 MAPK1 (0.76) MAPK1MAPK3L3MBTL1CYP3A4MAPK14
SCHEMBL31203692 0.84 MAPK1 (0.65) MAPK1MAPK3ROCK2CDK7CDC7
SCHEMBL18108770 0.83 AURKA (0.61) MAPK1MAPK3NAMPTFLT3HDAC1
SCHEMBL18108645 0.83 TTK (0.56) MAPK1MAPK3NAMPTROCK2CDK7
SCHEMBL18120885 0.83 NPC1 (0.57) MAPK1MAPK3MAPK14NAMPTROCK2
SCHEMBL18120884 0.83 CDK7 (0.46) MAPK1MAPK3CYP3A4ROCK2CDK7
SCHEMBL18108628 0.82 AURKA (0.64) MAPK1MAPK3FLT3HDAC1AURKA
SCHEMBL18108543 0.81 ALK (0.73) DAPK3FLT3MAP4K5AURKANTRK1

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 MAPK1 942/4885MAPK3 580/4885L3MBTL1 1836/4885
US-20160289196-A1 PYRAZOLE DERIVATIVES AS TNIK, IKKe AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TNIK, TNNI3K, TNK1 MAPK1 996/4885MAPK3 554/4885L3MBTL1 2029/4885

“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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