SCHEMBL3373162

SCHEMBL3373162

Nc1c(C(=O)O)cnn1-c1c(F)cccc1F

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.55
RIPK2 O43353 1/20 0.49
PTPN1 P18031 4/20 0.46
POLB P06746 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALB P02768 1/20 0.42
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR3 P22607 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
NR3C1 P04150 1/20 0.41

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
SCHEMBL3377765 0.84 MAPK14 (0.61) MAPK14RIPK2PTPN1
SCHEMBL3376470 0.83 MAPK14 (0.77) MAPK14RIPK2PTPN1POLBMAPT
SCHEMBL18172047 0.81 MAPK14 (0.59) MAPK14RIPK2PTPN1FGFR1FGFR2
SCHEMBL28299394 0.79 PTPN1 (0.45) MAPK14RIPK2PTPN1FGFR1FGFR2
SCHEMBL17145134 0.79 MAPT (0.67) POLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL3375740 0.78 MAPK14 (0.76) MAPK14RIPK2PTPN1POLBSMN1; SMN2
SCHEMBL1335080 0.77 RIPK2 (0.78) MAPK14RIPK2PTPN1POLBMAPT
Hydrochloric Acid SCHEMBL28362888 0.77 MAPK14 (0.74) MAPK14RIPK2PTPN1POLBSMN1; SMN2
SCHEMBL3376508 0.76 MAPK14 (0.56) MAPK14RIPK2PTPN1POLBSMN1; SMN2
SCHEMBL2792560 0.76 MAPK14 (0.72) MAPK14RIPK2PTPN1

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 14 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
US-20100035926-A1 PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2010-02-11 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
EP-2029549-A2 PHENYL-PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORICOID RECEPTOR LIGANDS Glaxo Group Limited (GB) 2009-03-04 EP disclosed
WO-2008074814-A1 PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2008-06-26 WO disclosed
WO-2008074814-A1 PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2008-06-26 WO disclosed
WO-2008000777-A2 PHENYL- PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE GLAXO GROUP LIMITED (GB) 2008-01-03 WO disclosed
WO-2007144327-A2 PHENYL-PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2007-12-21 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.