SCHEMBL2144589

SCHEMBL2144589

CC(C)(C)[Si](C)(C)OC1CCN(c2ccc([N+](=O)[O-])cn2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.64
ALDH1A1 P00352 5/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 1/20 0.56
LMNA P02545 2/20 0.55
ALOX12 P18054 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MAPK1 P28482 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
POLB P06746 1/20 0.54
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
ATM Q13315 1/20 0.51
NPY2R P49146 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NPBWR1 P48145 1/20 0.46
MCHR1 Q99705 1/20 0.46
CRBN Q96SW2 2/20 0.45
PKM P14618 1/20 0.44

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
SCHEMBL17785078 0.88 MAPT (0.53) MAPTALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL26114877 0.83 MAPT (0.60) MAPTALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL26640038 0.83 MAPT (0.73) MAPTALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL26118813 0.82 MAPT (0.59) MAPTALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL17654114 0.81 MAPT (0.66) MAPTALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL3608739 0.79 AKR1C3 (0.42) PANK3
SCHEMBL2144127 0.79 HRH3 (0.40) MAPTLMNAKDM4E
SCHEMBL2144857 0.79 MAPT (0.50) MAPTALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL2144855 0.79 MAPT (0.50) MAPTALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL5249138 0.79 MAPT (0.67) MAPTALDH1A1CYP1A2CYP2C9HPGD

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 MAPT 1496/4885ALDH1A1 1694/4885CYP1A2 654/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 MAPT 1496/4885ALDH1A1 1694/4885CYP1A2 654/4885

“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.