SCHEMBL3377765

SCHEMBL3377765

Nc1c(C(=O)O)cnn1-c1cccc(F)c1F

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.61
RIPK2 O43353 1/20 0.46
PTPN1 P18031 3/20 0.44
BTK Q06187 4/20 0.44
SCN9A Q15858 3/20 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
SCHEMBL8044344 0.89 MAPK14 (0.58) MAPK14RIPK2BTKSCN9A
SCHEMBL3376470 0.88 MAPK14 (0.77) MAPK14RIPK2PTPN1SCN9A
SCHEMBL18172047 0.86 MAPK14 (0.59) MAPK14RIPK2PTPN1BTKSCN9A
SCHEMBL14692631 0.86 MAPK14 (0.52) MAPK14RIPK2PTPN1SCN9A
SCHEMBL3373162 0.84 MAPK14 (0.55) MAPK14RIPK2PTPN1
SCHEMBL3373304 0.77 PTPN1 (0.55) MAPK14RIPK2PTPN1SCN9A
SCHEMBL14692428 0.77 FGFR1 (0.51) MAPK14RIPK2PTPN1SCN9A
SCHEMBL3376472 0.77 MAPK14 (0.58) MAPK14RIPK2PTPN1SCN9A
SCHEMBL1691549 0.77 MAPK14 (0.72) MAPK14RIPK2SCN9A
SCHEMBL3374482 0.77 FGFR1 (0.62) MAPK14RIPK2PTPN1SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101501003-B Phenyl-pyrazole derivatives as non-steroidal glucocorticoid receptor ligands GLAXO GROUP LTD 2013-05-08 CN disclosed
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
WO-2008074814-A1 PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2008-06-26 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 (3 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 1393/4885RIPK2 1523/4885PTPN1 3482/4885
US-20100035926-A1 PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR LIGANDS NR3C1, NR3C2, CYP11B2 MAPK14 602/4885RIPK2 711/4885PTPN1 593/4885
US-20120277279-A1 Non-Steroidal Glucocorticoid Inhibitors and Their Use in Treating Inflammation, Allergy and Auto-Immune Conditions NR3C1, SERPINA6, PTGS1 MAPK14 530/4885RIPK2 1695/4885PTPN1 331/4885

“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.