SCHEMBL2144407

SCHEMBL2144407

O=C(O)NCCn1cnc2ccc(Br)cc21

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
IDO1 P14902 2/20 0.46
EGLN3 Q9H6Z9 1/20 0.43
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 2/20 0.39
CASP1 P29466 3/20 0.39
MCL1 Q07820 1/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMO O15229 1/20 0.36
ATM Q13315 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
SCHEMBL2144935 0.89 MTNR1A (0.45) MTNR1AMTNR1BIDO1EGLN3MAPT
SCHEMBL2144522 0.82 MTNR1A (0.53) MTNR1AMTNR1BIDO1ALDH1A1MAPT
SCHEMBL15205558 0.82 EGLN3 (0.64) MTNR1AMTNR1BIDO1EGLN3ALDH1A1
SCHEMBL1397009 0.81 MTNR1A (0.45) MTNR1AMTNR1BEGLN3ALDH1A1MAPT
SCHEMBL20786959 0.81 USP7 (0.46) ALDH1A1MAPTPOLBMCL1LMNA
SCHEMBL10454788 0.80 EGLN3 (0.66) EGLN3ALDH1A1MAPTCASP1LMNA
SCHEMBL17263174 0.78 TDP1 (0.44) MTNR1AMTNR1BIDO1EGLN3MAPT
SCHEMBL29463886 0.78 TDP1 (0.44) MTNR1AMTNR1BIDO1EGLN3MAPT
SCHEMBL2144110 0.76 MTNR1A (0.49) MTNR1AMTNR1BIDO1EGLN3ALDH1A1
SCHEMBL30482453 0.76 MTNR1A (0.45) MTNR1AMTNR1BEGLN3ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344494-B1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARM LLC (US) 2016-04-20 EP disclosed
US-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BAHMANYAR SOGOLE (US) 2013-01-03 US disclosed
US-8299056-B2 Aminotriazolopyridines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-30 US disclosed
EP-2344494-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2011-07-20 EP disclosed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 US disclosed
WO-2010027500-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2010-03-11 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 (2 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-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 MTNR1A 910/4885MTNR1B 977/4885IDO1 690/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 MTNR1A 910/4885MTNR1B 977/4885IDO1 690/4885

“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.