SCHEMBL3735137

SCHEMBL3735137

CNC(=O)C(N)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
KCNA5 P22460 1/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 1/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CFTR P13569 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
GOPC Q9HD26 1/20 0.42
FFAR2 O15552 1/20 0.42
EPHX2 P34913 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
SCHEMBL19319049 0.82 TBXAS1 (0.50) POLBSMN1; SMN2KCNA5LMNAL3MBTL1
SCHEMBL27592790 0.81 RAB9A (0.51) KDM4EPOLBSMN1; SMN2MKNK1MKNK2
SCHEMBL11487828 0.80 SMN1; SMN2 (0.50) POLBSMN1; SMN2KCNA5LMNAL3MBTL1
Hydrochloric Acid SCHEMBL27749671 0.80 RAB9A (0.50) KDM4EPOLBSMN1; SMN2MKNK1MKNK2
SCHEMBL5216927 0.80 ALDH1A1 (0.49) KDM4EPOLBSMN1; SMN2KCNA5LMNA
SCHEMBL30430689 0.80 ALDH1A1 (0.49) KDM4EPOLBSMN1; SMN2KCNA5LMNA
SCHEMBL87326 0.79 ALDH1A1 (0.42) KDM4EPOLBKCNA5LMNAALDH1A1
SCHEMBL17308611 0.79 SMN1; SMN2 (0.53) KDM4ESMN1; SMN2KCNA5CFTRSLC6A2
SCHEMBL2628037 0.79 SMN1; SMN2 (0.53) KDM4ESMN1; SMN2KCNA5CFTRSLC6A2
SCHEMBL1354541 0.79 F7 (0.50) SMN1; SMN2MKNK1MKNK2KCNA5LMNA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114867-B1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-12-12 EP disclosed
EP-1758883-B1 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORP (US) 2011-11-02 EP disclosed
US-7829563-B2 Aminoamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2010-11-09 US disclosed
CN-101627007-A Aminoamides as orexin antagonists HOFFMANN LA ROCHE 2010-01-13 CN disclosed
EP-2114867-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. Hoffmann-Roche AG (CH) 2009-11-11 EP disclosed
US-7511062-B2 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORPORATION (US) 2009-03-31 US disclosed
US-7511062-B2 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORPORATION (US) 2009-03-31 US disclosed
WO-2008107335-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-12 WO disclosed
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-09-11 US disclosed
WO-2005116009-A1 SUBSTITUTED 2-QUINOLYL-OXAZOLES USEFUL AS PDE4 INHIBITORS SCHERING CORPORATION (US) 2005-12-08 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 (1 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-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HCRTR1, HCRTR2, HRH3 ROCK2 2829/4885ROCK1 2517/4885KDM4E 1317/4885

“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.