SCHEMBL3523940

SCHEMBL3523940

NCC(N)c1nc2ccccc2[nH]1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.69
ALDH1A1 P00352 3/20 0.58
POLB P06746 2/20 0.58
IDO1 P14902 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MASP2 O00187 1/20 0.48
NUDT1 P36639 1/20 0.48
AOC3 Q16853 1/20 0.48
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 2/20 0.47
ABCB11 O95342 1/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MLKL Q8NB16 3/20 0.46

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
Hydrochloric Acid SCHEMBL5846488 0.98 TAAR1 (0.67) TAAR1ALDH1A1POLBIDO1L3MBTL1
Hydrochloric Acid SCHEMBL5845865 0.86 TAAR1 (0.65) TAAR1ALDH1A1POLBIDO1L3MBTL1
SCHEMBL10640557 0.84 TAAR1 (0.71) TAAR1ALDH1A1POLBIDO1L3MBTL1
SCHEMBL9255168 0.84 ALDH1A1 (0.59) TAAR1ALDH1A1POLBIDO1L3MBTL1
SCHEMBL3225709 0.83 TAAR1 (0.61) TAAR1ALDH1A1POLBIDO1L3MBTL1
Hydrochloric Acid SCHEMBL29095769 0.83 TAAR1 (0.65) TAAR1ALDH1A1POLBIDO1L3MBTL1
Hydrochloric Acid SCHEMBL7674079 0.83 TAAR1 (0.65) TAAR1ALDH1A1POLBIDO1L3MBTL1
Hydrochloric Acid SCHEMBL29630301 0.83 TAAR1 (0.65) TAAR1ALDH1A1POLBIDO1L3MBTL1
SCHEMBL3221142 0.82 TAAR1 (0.60) TAAR1ALDH1A1POLBIDO1L3MBTL1
SCHEMBL14820674 0.81 TAAR1 (1.00) TAAR1ALDH1A1POLBIDO1MLKL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709473-B2 Substituted 2H-[1,2,4]triazolo[4,3-a]pyrazines as GSK-3 inhibitors PFIZER INC. (US) 2010-05-04 US disclosed
US-20070249612-A1 Substituted 2H-[1,2,4]Triazolo[4,3-A]Pyrazines as Gsk-3 Inhibitors BENBOW JOHN W 2007-10-25 US disclosed
EP-1678180-B1 SUBSTITUTED 2H-[1,2,4]TRIAZOLO 4,3-A PYRAZINES AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2007-08-08 EP 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-20070249612-A1 Substituted 2H-[1,2,4]Triazolo[4,3-A]Pyrazines as Gsk-3 Inhibitors GSK3B, GSK3A, GSKIP TAAR1 2678/4885ALDH1A1 1164/4885POLB 2478/4885

“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.