SCHEMBL1976965

SCHEMBL1976965

CCOC(=O)c1[nH]nc(C2CC2)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.42
PDE4D Q08499 1/20 0.41
HPGD P15428 5/20 0.41
ALDH1A1 P00352 4/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 2/20 0.41
RECQL P46063 1/20 0.41
CDC25B P30305 1/20 0.41
DHODH Q02127 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALOX15 P16050 1/20 0.39
GAA P10253 2/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 1/20 0.39
AURKA O14965 1/20 0.38
MAPK10 P53779 1/20 0.38
RIPK1 Q13546 1/20 0.38
ALPL P05186 1/20 0.38

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
SCHEMBL17479599 0.86 CYP1A2 (0.44) HSD17B10PDE4DHPGDALDH1A1HTT
SCHEMBL24758390 0.84 PDE4D (0.44) HSD17B10PDE4DHPGDALDH1A1HTT
SCHEMBL24906497 0.81 SMN1; SMN2 (0.43) HSD17B10PDE4DHPGDALDH1A1HTT
SCHEMBL24906486 0.80 HSD17B10 (0.39) HSD17B10PDE4DHPGDALDH1A1HTT
SCHEMBL24758404 0.80 KDM4E (0.39) HSD17B10PDE4DHPGDALDH1A1HTT
SCHEMBL2874155 0.77 PDE4D (0.58) HSD17B10PDE4DHPGDALDH1A1HTT
SCHEMBL14625854 0.76 CDC25B (0.40) HSD17B10PDE4DHPGDALDH1A1HTT
SCHEMBL23112503 0.76 POLB (0.47) HSD17B10PDE4DHPGDALDH1A1HTT
SCHEMBL9941259 0.76 KDM4E (0.50) HSD17B10PDE4DHPGDALDH1A1HTT
SCHEMBL15565944 0.75 PDE4B (0.39) HSD17B10PDE4DHPGDALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389513-B2 2-amino-5,5-difluoro-5,6-dihydro-4H-[1,3]oxazin-4-yl)-phenyl]-amides HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US disclosed
EP-2509965-A1 2-AMINO-5, 5-DIFLUORO-5, 6-DIHYDRO-4H-OXAZINES AS BACE 1 AND/OR BACE 2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-10-17 EP disclosed
US-20110144097-A1 2-AMINO-5,5-DIFLUORO-5,6-DIHYDRO-4H-[1,3]OXAZIN-4-YL)-PHENYL]-AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 US disclosed
WO-2011069934-A1 2-AMINO-5, 5-DIFLUORO-5, 6-DIHYDRO-4H-OXAZINES AS BACE 1 AND/OR BACE 2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 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-20110144097-A1 2-AMINO-5,5-DIFLUORO-5,6-DIHYDRO-4H-[1,3]OXAZIN-4-YL)-PHENYL]-AMIDES BACE2, BACE1, APP HSD17B10 571/4885PDE4D 736/4885HPGD 1476/4885

“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.