SCHEMBL3373304

SCHEMBL3373304

Nc1c(C(=O)O)cnn1-c1cc(F)ccc1F

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.55
MAPK14 Q16539 12/20 0.54
KEAP1 Q14145 1/20 0.45
FGFR1 P11362 1/20 0.43
FGFR2 P21802 1/20 0.43
FGFR3 P22607 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
SCHEMBL3376472 0.89 MAPK14 (0.58) PTPN1MAPK14KEAP1SCN9ARIPK2
SCHEMBL14692467 0.87 PTPN1 (0.56) PTPN1MAPK14FGFR1FGFR2FGFR3
SCHEMBL3520405 0.83 NPC1 (0.45) PTPN1MAPK14
SCHEMBL3376470 0.82 MAPK14 (0.77) PTPN1MAPK14FGFR1FGFR2FGFR3
SCHEMBL2792560 0.79 MAPK14 (0.72) PTPN1MAPK14RIPK2
SCHEMBL3374511 0.78 PTPN1 (0.65) PTPN1MAPK14RIPK2
SCHEMBL8045963 0.77 MAPK14 (0.58) PTPN1MAPK14SCN9ARIPK2
SCHEMBL3377765 0.77 MAPK14 (0.61) PTPN1MAPK14SCN9ARIPK2
SCHEMBL3375740 0.77 MAPK14 (0.76) PTPN1MAPK14RIPK2
SCHEMBL25344549 0.76 MAPK14 (0.57) MAPK14SCN9A

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 PTPN1 3482/4885MAPK14 1393/4885KEAP1 239/4885
US-20100035926-A1 PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR LIGANDS NR3C1, NR3C2, CYP11B2 PTPN1 593/4885MAPK14 602/4885KEAP1 1561/4885
US-20120277279-A1 Non-Steroidal Glucocorticoid Inhibitors and Their Use in Treating Inflammation, Allergy and Auto-Immune Conditions NR3C1, SERPINA6, PTGS1 PTPN1 331/4885MAPK14 530/4885KEAP1 627/4885

“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.