SCHEMBL3522245

SCHEMBL3522245

NCC(N)c1nc2ccccc2s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.68
UBE2T Q9NPD8 1/20 0.53
ASIC3 Q9UHC3 1/20 0.53
HPGD P15428 3/20 0.51
ALOX5 P09917 1/20 0.47
CYP1A2 P05177 4/20 0.46
CYP2C19 P33261 3/20 0.46
CYP2D6 P10635 3/20 0.46
CYP2C9 P11712 2/20 0.46
CYP3A4 P08684 2/20 0.46
STAT6 P42226 1/20 0.46
IDO1 P14902 1/20 0.44
HIF1A Q16665 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 2/20 0.43
CASR P41180 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL8319172 0.81 LOXL2 (0.62) LOXL2UBE2TASIC3HPGDALOX5
SCHEMBL10729448 0.81 LOXL2 (0.66) LOXL2UBE2TASIC3HPGDALOX5
SCHEMBL9037884 0.81 LOXL2 (1.00) LOXL2UBE2TASIC3HPGDALOX5
SCHEMBL1927921 0.81 LOXL2 (0.66) LOXL2UBE2TASIC3HPGDALOX5
SCHEMBL4884951 0.79 LOXL2 (0.55) LOXL2UBE2TASIC3HPGDALOX5
SCHEMBL7735961 0.79 LOXL2 (0.51) LOXL2UBE2TASIC3HPGDALOX5
SCHEMBL6912351 0.79 PKM (0.54) LOXL2HPGDALOX5CYP1A2CYP2C19
SCHEMBL8088125 0.78 LOXL2 (0.67) LOXL2UBE2TASIC3HPGDALOX5
SCHEMBL5968633 0.78 LOXL2 (0.67) LOXL2UBE2TASIC3HPGDALOX5
SCHEMBL5968526 0.78 LOXL2 (0.67) LOXL2UBE2TASIC3HPGDALOX5

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 7 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
US-7202245-B2 Substituted 4-amino[1,2,4]triazolo[4,3-a] quinoxalines PFIZER INC. (US) 2007-04-10 US disclosed
EP-1613629-A1 SUBSTITUTED 4-AMINO 1,2,4 TRIAZOLO 4,3-A QUINOXALINES Pfizer Products Inc. (US) 2006-01-11 EP disclosed
WO-2004085439-A1 SUBSTITUTED 4-AMINO[1,2,4]TRIAZOLO[4,3-A]QUINOXALINES PFIZER PRODUCTS INC. (US) 2004-10-07 WO disclosed
US-20040192698-A1 Substituted 4-amino[1,2,4]triazolo[4,3-a] quinoxalines PFIZER INC. 2004-09-30 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 (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-20070249612-A1 Substituted 2H-[1,2,4]Triazolo[4,3-A]Pyrazines as Gsk-3 Inhibitors GSK3B, GSK3A, GSKIP LOXL2 3599/4885UBE2T 2034/4885ASIC3 1702/4885
US-20040192698-A1 Substituted 4-amino[1,2,4]triazolo[4,3-a] quinoxalines CYP4B1, CYP3A4, CYP1B1 LOXL2 3097/4885UBE2T 2234/4885ASIC3 2265/4885

“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.