Sugi Predict

Sugi Predict / Compounds / SCHEMBL5388522

SCHEMBL5388522

SCHEMBL5388522

Fc1ccc(-c2nn3cc(C(F)(F)F)ccc3c2-c2ccnc(NC3CC3)n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 3/20 0.56
▸ CDK4 P11802 2/20 0.51
▸ CSNK1D P48730 1/20 0.51
▸ GSK3B P49841 8/20 0.48
▸ MAPK13 O15264 1/20 0.46
▸ MAPK12 P53778 1/20 0.46
▸ MAPK11 Q15759 1/20 0.46
▸ MAPK8 P45983 2/20 0.43
▸ MAPK9 P45984 2/20 0.43
▸ PRKD3 O94806 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CSNK1A1 P48729 1/20 0.43
▸ CLK2 P49760 1/20 0.43
▸ GSK3A P49840 1/20 0.43
▸ CSNK1G2 P78368 1/20 0.43
▸ TAOK1 Q7L7X3 1/20 0.43
▸ MINK1 Q8N4C8 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ PRKD2 Q9BZL6 1/20 0.43

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
SCHEMBL5875531 0.96 MAPK14 (0.54) MAPK14CDK4CSNK1DGSK3BMAPK13
SCHEMBL6488212 0.89 GSK3B (0.50) MAPK14CDK4CSNK1DGSK3B
SCHEMBL5385928 0.87 MAPK14 (0.54) MAPK14CDK4CSNK1DGSK3BMAPK13
Gw561436X SCHEMBL5382218 0.84 MAPK14 (0.57) MAPK14CDK4CSNK1DGSK3BMAPK13
SCHEMBL5388345 0.84 MAPK14 (0.57) MAPK14CSNK1DGSK3BMAPK13MAPK12
SCHEMBL5395106 0.84 MAPK14 (0.57) MAPK14CDK4CSNK1DGSK3BMAPK13
SCHEMBL5726204 0.84 CSNK1D (0.51) MAPK14CDK4CSNK1DGSK3BMAPK13
SCHEMBL5875496 0.84 CSNK1D (0.45) MAPK14CDK4CSNK1DGSK3BMAPK13
SCHEMBL6484935 0.83 CSNK1D (0.49) MAPK14CDK4CSNK1DGSK3BMAPK13
SCHEMBL6486063 0.83 CSNK1D (0.53) MAPK14CDK4CSNK1DGSK3BMAPK13

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-7166597-B2 Fused pyrazole derivatives being protein kinase inhibitors GLAXO GROUP LIMITED (GB) 2007-01-23 — — US disclosed
US-7166597-B2 Fused pyrazole derivatives being protein kinase inhibitors GLAXO GROUP LIMITED (GB) 2007-01-23 — — US disclosed
US-7166597-B2 Fused pyrazole derivatives being protein kinase inhibitors GLAXO GROUP LIMITED (GB) 2007-01-23 — — US disclosed
EP-1311507-B1 FUSED PYRAZOLE DERIVATIVES BEING PROTEIN KINASE INHIBITORS GLAXO GROUP LTD (GB) 2006-03-01 — — EP disclosed
US-20050107400-A1 Use of pyrazolopyridines as therapeutic compounds SMITHKLINE BEECHAM CORPORATION 2005-05-19 — — US disclosed
US-20040053942-A1 Fused pyrazole derivatives bieng protein kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2004-03-18 — — 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-20040053942-A1 Fused pyrazole derivatives bieng protein kinase inhibitors RAF1, SBK3, MAP3K3 MAPK14 77/4885CDK4 224/4885CSNK1D 291/4885
US-20050107400-A1 Use of pyrazolopyridines as therapeutic compounds QDPR, DPYD, ENTPD5 MAPK14 1551/4885CDK4 439/4885CSNK1D 2789/4885

“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.