SCHEMBL3351731

SCHEMBL3351731

CC(C)(C)OC(=O)NCCc1cccc(NN)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.49
NAMPT P43490 1/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
CA2 P00918 3/20 0.47
CA1 P00915 2/20 0.47
AKT1 P31749 1/20 0.47
POLB P06746 1/20 0.46
IDO1 P14902 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 1/20 0.42
CTSK P43235 1/20 0.42
BRD4 O60885 1/20 0.42
SIGMAR1 Q99720 2/20 0.42
SPR P35270 1/20 0.41
GLS O94925 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
SCHEMBL1718277 0.86 NQO2 (0.51) NQO2NAMPTCYP3A4CYP2C19CA2
SCHEMBL6675643 0.85 CYP3A4 (0.49) NQO2NAMPTCYP3A4CYP2C19CA2
SCHEMBL27405437 0.85 NAMPT (0.49) NQO2NAMPTCYP3A4CYP2C19CA2
SCHEMBL27832827 0.84 NQO2 (0.51) NQO2NAMPTCYP3A4CYP2C19CA2
SCHEMBL6487505 0.83 NQO2 (0.48) NQO2NAMPTCA2CA1POLB
SCHEMBL3068695 0.83 CYP3A4 (0.52) NQO2NAMPTCYP3A4CYP2C19CA2
SCHEMBL16787407 0.82 POLB (0.62) NQO2NAMPTCA2CA1POLB
SCHEMBL69058 0.82 NQO2 (0.62) NQO2NAMPTCA2CA1POLB
SCHEMBL9985225 0.82 NQO2 (0.52) NQO2NAMPTCYP3A4CYP2C19CA2
SCHEMBL31505839 0.82 NQO2 (0.62) NQO2NAMPTCA2CA1POLB

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
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-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-20080187978-A1 Anti-inflammatory medicaments FLYNN DANIEL L 2008-08-07 US disclosed
US-20080132506-A1 Anti-inflammatory medicaments FLYNN DANIEL L 2008-06-05 US disclosed
US-20080064688-A1 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC 2008-03-13 US disclosed
US-7342037-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2008-03-11 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-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 (7 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-20080064688-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF NQO2 3331/4885NAMPT 2452/4885CYP3A4 4423/4885
US-20090105230-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF NQO2 3331/4885NAMPT 2452/4885CYP3A4 4423/4885
US-20090075986-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF NQO2 3331/4885NAMPT 2452/4885CYP3A4 4423/4885
US-20070037808-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 NQO2 3773/4885NAMPT 2464/4885CYP3A4 4578/4885
US-20050288286-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF NQO2 3331/4885NAMPT 2452/4885CYP3A4 4423/4885
US-20070191336-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 NQO2 3773/4885NAMPT 2464/4885CYP3A4 4578/4885
US-20080132506-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF NQO2 3331/4885NAMPT 2452/4885CYP3A4 4423/4885

“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.