SCHEMBL18120884

SCHEMBL18120884

O=C(NCc1cncs1)c1ccc2[nH]nc(NC(=O)c3ccc(F)cc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 9/20 0.46
▸ CDC7 O00311 1/20 0.46
▸ DAPK3 O43293 1/20 0.46
▸ ROCK2 O75116 1/20 0.46
▸ PRKD3 O94806 1/20 0.46
▸ MAP4K4 O95819 1/20 0.46
▸ PAK4 O96013 1/20 0.46
▸ PIM1 P11309 1/20 0.46
▸ PRKACA P17612 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ FLT3 P36888 1/20 0.46
▸ CSNK1A1 P48729 1/20 0.46
▸ CDK8 P49336 1/20 0.46
▸ CLK2 P49760 1/20 0.46
▸ CDK9 P50750 1/20 0.46
▸ PRKX P51817 1/20 0.46
▸ JAK3 P52333 1/20 0.46
▸ CDK5 Q00535 1/20 0.46
▸ MAP4K2 Q12851 1/20 0.46
▸ STK3 Q13188 1/20 0.46

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 SCHEMBL18108590 0.95 CDK7 (0.44) CDK7CDC7DAPK3ROCK2PRKD3
SCHEMBL18108645 0.86 TTK (0.56) CDK7CDC7DAPK3ROCK2PRKD3
SCHEMBL18108725 0.83 CDK7 (0.45) CDK7CDC7DAPK3ROCK2PRKD3
SCHEMBL18122978 0.83 AURKA (0.59) FLT3NTRK1AURKAINSRIGF1R
SCHEMBL18108595 0.83 MAPK1 (0.60) CDK7CDC7DAPK3ROCK2PRKD3
SCHEMBL18108756 0.82 MAPK1 (0.61) CDK7CDC7DAPK3ROCK2PRKD3
SCHEMBL18120885 0.80 NPC1 (0.57) CDK7CDC7DAPK3ROCK2PRKD3
SCHEMBL18108698 0.80 CDK7 (0.45) CDK7CDC7DAPK3ROCK2PRKD3
SCHEMBL18108646 0.79 HDAC6 (0.52) CDK7CDC7DAPK3ROCK2PRKD3
SCHEMBL18108735 0.78 HPGD (0.59) CDK7CDC7DAPK3ROCK2PRKD3

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 3 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-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 370/4885CDC7 546/4885DAPK3 228/4885
US-20160289196-A1 PYRAZOLE DERIVATIVES AS TNIK, IKKe AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TNIK, TNNI3K, TNK1 CDK7 390/4885CDC7 553/4885DAPK3 218/4885

“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.

Send feedback