SCHEMBL2144241

SCHEMBL2144241

CC1(C)OB(c2ccc3c(c2)C(=O)N(CCNC(=O)O)C3)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
ROCK1 Q13464 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ITGB3 P05106 6/20 0.38
ITGA2B P08514 6/20 0.38
ITGA2 P17301 2/20 0.38
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
HIF1A Q16665 1/20 0.35
PRMT5 O14744 2/20 0.34
WDR77 Q9BQA1 2/20 0.34
LIPG Q9Y5X9 1/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL2144851 0.92 SMN1; SMN2 (0.42) SMN1; SMN2ROCK1KDM4EALDH1A1HPGD
SCHEMBL2144359 0.86 PRMT5 (0.48) SMN1; SMN2ROCK1ITGB3ITGA2BITGA2
SCHEMBL28764342 0.84 KDM4E (0.55) ROCK1KDM4EALDH1A1HPGDITGB3
SCHEMBL18766013 0.83 ROCK1 (0.43) ROCK1KDM4EALDH1A1HPGDITGB3
SCHEMBL18765480 0.83 ROCK1 (0.39) SMN1; SMN2ROCK1KDM4EALDH1A1HPGD
SCHEMBL19049768 0.82 BACE1 (0.43) ROCK1KDM4EALDH1A1HPGDALOX15
SCHEMBL19049769 0.81 ROCK1 (0.41) ROCK1KDM4EALOX15TSHRSIRT1
SCHEMBL29339005 0.81 ROCK1 (0.41) ROCK1PRMT5WDR77LIPGIDO1
SCHEMBL19049793 0.80 ROCK1 (0.38) ROCK1KDM4EALDH1A1HPGDALOX15
SCHEMBL19049761 0.80 MAPK1 (0.41) SMN1; SMN2ROCK1KDM4EALDH1A1HPGD

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 SMN1; SMN2 2899/4885ROCK1 680/4885KDM4E 1965/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 SMN1; SMN2 2899/4885ROCK1 680/4885KDM4E 1965/4885

“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.