SCHEMBL2144245

SCHEMBL2144245

CC(C)(C)[Si](C)(C)OCCN1Cc2cc([N+](=O)[O-])ccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.40
DUT P33316 1/20 0.37
PRF1 P14222 1/20 0.36
CASP1 P29466 1/20 0.36
CASP3 P42574 1/20 0.36
CASP4 P49662 1/20 0.36
CASP7 P55210 1/20 0.36
CASP9 P55211 1/20 0.36
CASP6 P55212 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRA6 Q16445 1/20 0.36
TDP2 O95551 1/20 0.35
ALDH1A1 P00352 4/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34

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
SCHEMBL2144629 0.91 ACHE (0.40) ACHEDUTCASP1CASP3CASP4
SCHEMBL2145293 0.82 KDM4E (0.40) DUTPRF1CASP1CASP7ALDH1A1
SCHEMBL30512969 0.82 DUT (0.37) DUTPRF1ALDH1A1MAPK1
SCHEMBL3595742 0.81 AKR1B1 (0.39) ACHEDUTTDP2ALDH1A1MAPT
SCHEMBL17797610 0.80 DRD2 (0.42) DUTALDH1A1LMNAMAPTMEN1
SCHEMBL3385961 0.76 POLB (0.43) ACHEPRF1CASP1CASP3CASP4
SCHEMBL6294904 0.76 DRD2 (0.52) ALDH1A1LMNAMAPTSMN1; SMN2HTT
SCHEMBL30561511 0.76 DRD2 (0.52) ALDH1A1LMNAMAPTSMN1; SMN2HTT
SCHEMBL1951253 0.76 CYP1A2 (0.46) ACHECASP1CASP3CASP4CASP7
SCHEMBL2153518 0.76 GABRA1 (0.38) ACHECASP1CASP3CASP4CASP7

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 ACHE 1943/4885DUT 1446/4885PRF1 3051/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 ACHE 1943/4885DUT 1446/4885PRF1 3051/4885

“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.