SCHEMBL2144437

SCHEMBL2144437

C(=N/C1CCCCNC1)\c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
ACHE P22303 7/20 0.43
BACE1 P56817 7/20 0.43
BCHE P06276 3/20 0.41
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MPI P34949 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL2144440 1.00 KMT2A (0.46) KMT2AACHEBACE1BCHEPOLB
SCHEMBL19713578 1.00 KMT2A (0.46) KMT2AACHEBACE1BCHEPOLB
SCHEMBL19713577 1.00 KMT2A (0.46) KMT2AACHEBACE1BCHEPOLB
SCHEMBL3597522 0.95 ACHE (0.44) KMT2AACHEBACE1BCHEPOLB
SCHEMBL3597520 0.95 ACHE (0.44) KMT2AACHEBACE1BCHEPOLB
SCHEMBL23700119 0.95 ACHE (0.44) KMT2AACHEBACE1BCHEPOLB
SCHEMBL23700118 0.95 ACHE (0.44) KMT2AACHEBACE1BCHEPOLB
SCHEMBL3598418 0.88 ACHE (0.46) KMT2AACHEBACE1BCHELMNA
SCHEMBL3598416 0.88 ACHE (0.46) KMT2AACHEBACE1BCHELMNA
Tert-Butyl Formate SCHEMBL28007322 0.86 LMNA (0.37) KMT2AACHEBACE1BCHEPOLB

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 KMT2A 569/4885ACHE 1943/4885BACE1 2031/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 KMT2A 569/4885ACHE 1943/4885BACE1 2031/4885

“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.