SCHEMBL3374632

SCHEMBL3374632

Nc1c(C(=O)O)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.69
RIPK2 O43353 1/20 0.58
RAB9A P51151 5/20 0.55
MAPK14 Q16539 3/20 0.55
NPC1 O15118 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
PTGS1 P23219 1/20 0.50
LOX P28300 1/20 0.50
PTGS2 P35354 1/20 0.50
CA9 Q16790 1/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.49

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
SCHEMBL2804588 0.87 RIPK2 (0.71) PTPN1RIPK2RAB9AMAPK14NPC1
SCHEMBL1335080 0.85 RIPK2 (0.78) PTPN1RIPK2RAB9AMAPK14NPC1
SCHEMBL2792560 0.84 MAPK14 (0.72) PTPN1RIPK2MAPK14MEN1KMT2A
SCHEMBL594205 0.84 RIPK2 (0.58) PTPN1RIPK2RAB9AMAPK14NPC1
Hydrochloric Acid SCHEMBL3517693 0.83 RIPK2 (0.76) PTPN1RIPK2RAB9AMAPK14NPC1
SCHEMBL6532361 0.83 PTPN1 (0.54) PTPN1RIPK2RAB9AMAPK14ALDH1A1
SCHEMBL3376392 0.83 HTT (0.67) PTPN1RIPK2RAB9AMAPK14NPC1
SCHEMBL13982997 0.82 RIPK2 (0.59) PTPN1RIPK2RAB9AMAPK14NPC1
SCHEMBL2872595 0.82 PTPN1 (0.50) PTPN1RAB9ANPC1MEN1KMT2A
SCHEMBL10340641 0.81 PTPN1 (0.50) PTPN1RIPK2RAB9ANPC1MEN1

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 23 patents — showing the first 20. 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
EP-2297112-B1 PYRAZOLE COMPOUNDS AS CCR1 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2013-04-03 EP 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-8293917-B2 Pyrazole compounds as CCR1 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 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
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
EP-0783501-B9 PYRIMIDONE DERIVATIVES WITH ANTIFUNGAL ACTIVITY URIACH & CIA SA J (ES) 2001-07-25 EP disclosed
EP-0783501-B1 PYRIMIDONE DERIVATIVES WITH ANTIFUNGAL ACTIVITY URIACH & CIA SA J (ES) 2001-01-10 EP disclosed
US-5888941-A Carbozamides with antifungal activity J. URIACH & CIA. S.A. (ES) 1999-03-30 US disclosed
US-5807854-A THERAPY FOR FUNGI INFECTIONS IN PLANTS, ANIMALS J. URIAH & CIA. S.A. (ES) 1998-09-15 US disclosed
EP-0783502-A1 NEW CARBOXAMIDES WITH ANTIFUNGAL ACTIVITY J. URIACH & CIA. S.A. (ES) 1997-07-16 EP disclosed
EP-0783501-A1 NEW PYRIMIDONE DERIVATIVES WITH ANTIFUNGAL ACTIVITY J. URIACH & CIA. S.A. (ES) 1997-07-16 EP disclosed
WO-1997005130-A1 NEW PYRIMIDONE DERIVATIVES WITH ANTIFUNGAL ACTIVITY J. URIACH & CIA. S.A. (ES) 1997-02-13 WO disclosed
WO-1997005131-A1 NEW CARBOXAMIDES WITH ANTIFUNGAL ACTIVITY J. URIACH & CIA. S.A. (ES) 1997-02-13 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 3482/4885RIPK2 1523/4885RAB9A 2301/4885
US-20100035926-A1 PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR LIGANDS NR3C1, NR3C2, CYP11B2 PTPN1 593/4885RIPK2 711/4885RAB9A 4305/4885
US-20120277279-A1 Non-Steroidal Glucocorticoid Inhibitors and Their Use in Treating Inflammation, Allergy and Auto-Immune Conditions NR3C1, SERPINA6, PTGS1 PTPN1 331/4885RIPK2 1695/4885RAB9A 4327/4885

“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.