SCHEMBL15432255

SCHEMBL15432255

C=C(C)Nc1cnccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ HDAC1 Q13547 3/20 0.37
▸ HDAC3 O15379 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ AOC1 P19801 2/20 0.37
▸ AOC3 Q16853 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ KDM4C Q9H3R0 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KDM6B O15054 1/20 0.35
▸ KDM4A O75164 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
SCHEMBL14357917 0.81 HDAC1 (0.46) GAAALDH1A1KDM4EGLAHDAC1
Hydrochloric Acid SCHEMBL29373586 0.80 HDAC1 (0.45) GAAALDH1A1KDM4EGLAHDAC1
Hydrochloric Acid SCHEMBL5749683 0.80 HDAC1 (0.45) GAAALDH1A1KDM4EGLAHDAC1
SCHEMBL6988265 0.79 CYP1A2 (0.41) GAAALDH1A1KDM4EGLAHDAC1
SCHEMBL9425432 0.79 ALDH1A1 (0.45) GAAALDH1A1KDM4EAOC1AOC3
SCHEMBL18858121 0.78 GAA (0.39) GAAALDH1A1KDM4EGLAHDAC1
SCHEMBL6988259 0.78 GAA (0.39) GAAALDH1A1KDM4EGLAHDAC1
Hydrochloric Acid SCHEMBL9426022 0.78 CYP1A2 (0.40) GAAALDH1A1GLAHDAC1HDAC3
Hydrochloric Acid SCHEMBL9426498 0.77 ALDH1A1 (0.44) GAAALDH1A1KDM4EAOC1AOC3
SCHEMBL9017891 0.76 HDAC1 (0.49) GAAALDH1A1KDM4EGLAHDAC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140024621-A1 AMINOPYRIDINE COMPOUNDS AND THEIR USES MS THERAPEUTICS LIMITED (GB) 2014-01-23 — — US 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 (1 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-20140024621-A1 AMINOPYRIDINE COMPOUNDS AND THEIR USES DNPEP, PEPD, ANPEP GAA 254/4885ALDH1A1 264/4885KDM4E 690/4885

“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.

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