SCHEMBL1965016

SCHEMBL1965016

Cc1nc2cnccn2c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
BRAF P15056 1/20 0.43
KDM4E B2RXH2 3/20 0.40
GAA P10253 3/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PARP1 P09874 1/20 0.38
LMNA P02545 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL7975453 0.87 KMT2A (0.59) KMT2ABRAFKDM4EGAAALDH1A1
SCHEMBL1965048 0.80 MAPK1 (0.64) KMT2ABRAFKDM4EGAAALDH1A1
SCHEMBL19700339 0.80 CDK9 (0.43) KMT2ABRAFKDM4EGAAALDH1A1
SCHEMBL15760437 0.80 GAA (0.37) KMT2ABRAFKDM4EGAAALDH1A1
SCHEMBL29511229 0.77 BRAF (0.49) KMT2ABRAFKDM4EGAAALDH1A1
SCHEMBL15688347 0.75 BRAF (0.48) KMT2ABRAFKDM4EGAAALDH1A1
SCHEMBL954146 0.75 KMT2A (0.76) KMT2AKDM4EGAAALDH1A1MAPK1
SCHEMBL11005215 0.74 BRAF (0.50) KMT2ABRAFKDM4EGAAALDH1A1
SCHEMBL19614492 0.73 KMT2A (0.34) KMT2AKDM4EGAAALDH1A1MAPK1
SCHEMBL1768162 0.73 SMN1; SMN2 (0.61) KMT2AKDM4EGAAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
EP-2509424-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2012-10-17 EP disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 WO disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 WO disclosed
US-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
EP-2109364-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2009-10-21 EP disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 US disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 US disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 US disclosed
WO-2008076356-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2008-06-26 WO disclosed
WO-2008076356-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2008-06-26 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-20110207704-A1 Novel Oxadiazole Compounds S1PR3, S1PR1, S1PR2 KMT2A 4427/4885BRAF 2581/4885KDM4E 3611/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP KMT2A 1069/4885BRAF 2622/4885KDM4E 2437/4885
US-20080280876-A1 Novel oxadiazole compounds S1PR3, S1PR1, S1PR2 KMT2A 4427/4885BRAF 2581/4885KDM4E 3611/4885

“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.