SCHEMBL3376472

SCHEMBL3376472

Nc1c(C(=O)O)cnn1-c1ccc(F)cc1F

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.58
PTPN1 P18031 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
KEAP1 Q14145 1/20 0.45
TP53 P04637 1/20 0.44
NR3C1 P04150 1/20 0.44
GPR35 Q9HC97 1/20 0.43
SCN9A Q15858 1/20 0.42
RIPK2 O43353 1/20 0.42

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
SCHEMBL8045963 0.89 MAPK14 (0.58) MAPK14PTPN1SMN1; SMN2TP53NR3C1
SCHEMBL3373304 0.89 PTPN1 (0.55) MAPK14PTPN1KEAP1SCN9ARIPK2
SCHEMBL25344549 0.87 MAPK14 (0.57) MAPK14SMN1; SMN2TP53NR3C1GPR35
SCHEMBL20162796 0.84 MAPK14 (0.54) MAPK14PTPN1SMN1; SMN2TP53NR3C1
SCHEMBL30038196 0.84 MAPK14 (0.54) MAPK14PTPN1SMN1; SMN2TP53NR3C1
SCHEMBL6052137 0.83 SMN1; SMN2 (0.52) MAPK14SMN1; SMN2TP53GPR35
SCHEMBL3376470 0.82 MAPK14 (0.77) MAPK14PTPN1SMN1; SMN2SCN9ARIPK2
SCHEMBL27718175 0.82 MAPK14 (0.48) MAPK14PTPN1SCN9A
SCHEMBL31117130 0.81 RAB9A (0.59) MAPK14SMN1; SMN2TP53
SCHEMBL4872984 0.81 RAB9A (0.59) MAPK14SMN1; SMN2TP53

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277279-A1 Non-Steroidal Glucocorticoid Inhibitors and Their Use in Treating Inflammation, Allergy and Auto-Immune Conditions GLAXO GROUP LIMITED 2012-11-01 US disclosed
US-8247377-B2 Non-steroidal glucocorticoid inhibitors and their use in treating inflammation, allergy and auto-immune conditions GLAXO GROUP LIMITED (GB) 2012-08-21 US disclosed
EP-2029549-B1 PHENYL-PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORICOID RECEPTOR LIGANDS GLAXO GROUP LTD (GB) 2010-11-10 EP disclosed
US-20100234441-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-09-16 US disclosed
US-20100035926-A1 PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2010-02-11 US disclosed
EP-2099766-A1 PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR LIGANDS Glaxo Group Limited (GB) 2009-09-16 EP disclosed
US-20080207725-A1 Phenyl-Pyrazole Derivatives as Non-Steroidal Glucocorticoid Receptor Ligands GLAXO GROUP LIMITED, A CORPORATION 2008-08-28 US disclosed
US-20080207725-A1 Phenyl-Pyrazole Derivatives as Non-Steroidal Glucocorticoid Receptor Ligands GLAXO GROUP LIMITED, A CORPORATION 2008-08-28 US disclosed
WO-2008074814-A1 PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2008-06-26 WO disclosed
EP-1896438-A1 PHENYL-PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2008-03-12 EP disclosed
WO-2007000334-A1 PHENYL-PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2007-01-04 WO 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 (4 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-20100234441-A1 NOVEL COMPOUNDS LTB4R2, TSLP, LTB4R MAPK14 1393/4885PTPN1 3482/4885SMN1; SMN2 4171/4885
US-20080207725-A1 Phenyl-Pyrazole Derivatives as Non-Steroidal Glucocorticoid Receptor Ligands NR3C1, NR3C2, NR5A1 MAPK14 819/4885PTPN1 430/4885SMN1; SMN2 4856/4885
US-20100035926-A1 PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR LIGANDS NR3C1, NR3C2, CYP11B2 MAPK14 602/4885PTPN1 593/4885SMN1; SMN2 4873/4885
US-20120277279-A1 Non-Steroidal Glucocorticoid Inhibitors and Their Use in Treating Inflammation, Allergy and Auto-Immune Conditions NR3C1, SERPINA6, PTGS1 MAPK14 530/4885PTPN1 331/4885SMN1; SMN2 4794/4885

“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.