SCHEMBL3351727

SCHEMBL3351727

CN(Cc1cccc(NN)c1)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLS O94925 2/20 0.47
HTR2C P28335 1/20 0.43
SLC6A4 P31645 1/20 0.43
AOC3 Q16853 8/20 0.42
MGLL Q99685 1/20 0.41
RIPK1 Q13546 3/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL7238099 0.85 GLS (0.46) GLSHTR2CSLC6A4AOC3CA12
SCHEMBL2228851 0.85 HSD11B1 (0.51) GLSHTR2CSLC6A4AOC3MGLL
SCHEMBL27440203 0.82 GLS (0.49) GLSHTR2CSLC6A4AOC3RIPK1
SCHEMBL16942777 0.81 HSD17B2 (0.53) GLSHTR2CSLC6A4RIPK1
SCHEMBL1831339 0.81 GLS (0.50) GLSHTR2CSLC6A4AOC3MGLL
SCHEMBL7021352 0.81 GLS (0.53) GLSHTR2CSLC6A4AOC3MGLL
SCHEMBL14426297 0.81 HSP90AA1 (0.49) GLSHTR2CSLC6A4AOC3MGLL
SCHEMBL30264842 0.81 HSP90AA1 (0.49) GLSHTR2CSLC6A4AOC3MGLL
SCHEMBL18017409 0.81 HTR2C (0.38) GLSHTR2CSLC6A4MGLLRIPK1
SCHEMBL7024992 0.80 ACHE (0.52) GLSHTR2CSLC6A4AOC3RIPK1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737283-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2010-06-15 US disclosed
US-7737283-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2010-06-15 US disclosed
US-7737283-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2010-06-15 US disclosed
US-7531566-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2009-05-12 US disclosed
US-7531566-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2009-05-12 US disclosed
US-20090105230-A1 Anti-inflammatory medicaments FLYNN DANIEL L 2009-04-23 US disclosed
US-20090105230-A1 Anti-inflammatory medicaments FLYNN DANIEL L 2009-04-23 US disclosed
US-20090105230-A1 Anti-inflammatory medicaments FLYNN DANIEL L 2009-04-23 US disclosed
US-20090075986-A1 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC 2009-03-19 US disclosed
US-20090075986-A1 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC 2009-03-19 US disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 US disclosed
EP-1773784-A2 ANTI-INFLAMMATORY MEDICAMENTS Deciphera Pharmaceuticals, LLC (US) 2007-04-18 EP disclosed
US-7202257-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2007-04-10 US disclosed
US-7202257-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2007-04-10 US disclosed
US-7202257-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2007-04-10 US disclosed
US-20070037808-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-02-15 US disclosed
US-20070037808-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-02-15 US disclosed
US-20070037808-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-02-15 US disclosed
WO-2006014290-A2 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-02-09 WO disclosed
US-20050288286-A1 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC 2005-12-29 US 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 (5 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-20090105230-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF GLS 1782/4885HTR2C 2246/4885SLC6A4 4727/4885
US-20090075986-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF GLS 1782/4885HTR2C 2246/4885SLC6A4 4727/4885
US-20070037808-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 GLS 1128/4885HTR2C 2282/4885SLC6A4 4717/4885
US-20050288286-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF GLS 1782/4885HTR2C 2246/4885SLC6A4 4727/4885
US-20070191336-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 GLS 1128/4885HTR2C 2282/4885SLC6A4 4717/4885

“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.