SCHEMBL3059083

SCHEMBL3059083

Nc1ccncc1CCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TKT P29401 1/20 0.52
AOC1 P19801 2/20 0.45
AOC3 Q16853 2/20 0.45
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KDM6B O15054 1/20 0.38
KDM4A O75164 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4D Q6B0I6 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EP300 Q09472 1/20 0.37
KAT2B Q92831 1/20 0.37
KAT8 Q9H7Z6 1/20 0.37
LOXL2 Q9Y4K0 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
SCHEMBL1979284 0.83 AOC1 (0.61) TKTAOC1AOC3GAAKDM4E
SCHEMBL1930789 0.83
SCHEMBL29964442 0.83
SCHEMBL16307598 0.79 AOC1 (0.50) TKTAOC1AOC3GAAKDM4E
SCHEMBL15390035 0.79 AOC1 (0.50) TKTAOC1AOC3GAAKDM4E
SCHEMBL18716208 0.79 CYP2E1 (0.47) TKTAOC1AOC3GAAKDM4C
Hydrochloric Acid SCHEMBL28577547 0.78 AOC1 (0.42) TKTAOC1AOC3LOXL2SCN9A
SCHEMBL27644996 0.76 AOC1 (0.42) TKTAOC1AOC3GAATDP1
SCHEMBL31620775 0.76
SCHEMBL18228602 0.76

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2850044-A2 USE OF FLUORINATED DERIVATIVES OF 4-AMINOPYRIDINE IN THERAPEUTICS AND MEDICAL IMAGING The University of Chicago (US) 2015-03-25 EP claimed
WO-2013173746-A2 USE OF FLUORINATED DERIVATIVES OF 4-AMINOPYRIDINE IN THERAPEUTICS AND MEDICAL IMAGING THE UNIVERSITY OF CHICAGO (US) 2013-11-21 WO claimed
US-20210017133-A1 USE OF FLUORINATED DERIVATIVES OF 4-AMINOPYRIDINE IN THERAPEUTICS AND MEDICAL IMAGING THE UNIVERSITY OF CHICAGO 2021-01-21 US disclosed
US-20210017133-A1 USE OF FLUORINATED DERIVATIVES OF 4-AMINOPYRIDINE IN THERAPEUTICS AND MEDICAL IMAGING THE UNIVERSITY OF CHICAGO 2021-01-21 US disclosed
US-10442767-B2 Use of fluorinated derivatives of 4-aminopyridine in therapeutics and medical imaging THE UNIVERSITY OF CHICAGO (US) 2019-10-15 US disclosed
US-10442767-B2 Use of fluorinated derivatives of 4-aminopyridine in therapeutics and medical imaging THE UNIVERSITY OF CHICAGO (US) 2019-10-15 US disclosed
US-20170174629-A1 USE OF FLUORINATED DERIVATIVES OF 4-AMINOPYRIDINE IN THERAPEUTICS AND MEDICAL IMAGING THE UNIVERSITY OF CHICAGO 2017-06-22 US disclosed
US-20170174629-A1 USE OF FLUORINATED DERIVATIVES OF 4-AMINOPYRIDINE IN THERAPEUTICS AND MEDICAL IMAGING THE UNIVERSITY OF CHICAGO 2017-06-22 US disclosed
US-20170174629-A1 USE OF FLUORINATED DERIVATIVES OF 4-AMINOPYRIDINE IN THERAPEUTICS AND MEDICAL IMAGING THE UNIVERSITY OF CHICAGO 2017-06-22 US disclosed
EP-2850044-B1 USE OF FLUORINATED DERIVATIVES OF 4-AMINOPYRIDINE IN THERAPEUTICS AND MEDICAL IMAGING UNIV CHICAGO (US) 2017-05-17 EP disclosed
US-9617215-B2 Use of fluorinated derivatives of 4-aminopyridine in therapeutics and medical imaging THE UNIVERSITY OF CHICAGO (US) 2017-04-11 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
US-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 US disclosed
CN-1780821-A Heterocyclic kinase inhibitors. ABBOTT LAB (US) 2006-05-31 CN disclosed
EP-1606268-A1 HETEROCYCLIC KINASE INHIBITORS Abbott Laboratories (US) 2005-12-21 EP disclosed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 US disclosed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 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 (8 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-20210017133-A1 USE OF FLUORINATED DERIVATIVES OF 4-AMINOPYRIDINE IN THERAPEUTICS AND MEDICAL IMAGING KCNQ4, KCNJ4, KCNQ2 TKT 2342/4885AOC1 2811/4885AOC3 3607/4885
US-20170174629-A1 USE OF FLUORINATED DERIVATIVES OF 4-AMINOPYRIDINE IN THERAPEUTICS AND MEDICAL IMAGING KCNQ4, KCNJ4, KCNQ2 TKT 2342/4885AOC1 2811/4885AOC3 3607/4885
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 TKT 519/4885AOC1 3905/4885AOC3 607/4885
US-20040254159-A1 Heterocyclic kinase inhibitors MAP3K20, MAP3K19, MAP3K1 TKT 501/4885AOC1 2967/4885AOC3 3772/4885
US-10442767-B2 Use of fluorinated derivatives of 4-aminopyridine in therapeutics and medical imaging KCNJ4, KCNQ4, KCNQ2 TKT 2279/4885AOC1 3230/4885AOC3 3693/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 TKT 519/4885AOC1 3905/4885AOC3 607/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 TKT 511/4885AOC1 2871/4885AOC3 3808/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 TKT 519/4885AOC1 3905/4885AOC3 607/4885

“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.