SCHEMBL3524745

SCHEMBL3524745

COC(=O)c1cn2c(=O)[nH]nc2c(NC(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.39
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.33
GSK3A P49840 7/20 0.32
GSK3B P49841 7/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PLAU P00749 1/20 0.31
ELANE P08246 1/20 0.31
PARP1 P09874 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31

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
SCHEMBL3523002 0.87 HCAR2 (0.34) GSK3AGSK3B
SCHEMBL5543611 0.78 KDM5B (0.41) SYKALDH1A1HSD17B10SMN1; SMN2PARP1
SCHEMBL3523063 0.78 PDE5A (0.47) GSK3AGSK3B
SCHEMBL3524484 0.78 PDE5A (0.33) GSK3AGSK3B
SCHEMBL5548540 0.75 PDE5A (0.32) GSK3AGSK3B
SCHEMBL3527144 0.75 RAB9A (0.44) MAPK1KMT2ALMNAALDH1A1HSD17B10
SCHEMBL3524781 0.72 CLK4 (0.45) KMT2ALMNAALDH1A1SMN1; SMN2GABRA2
SCHEMBL3523302 0.72 CCNE1 (0.36) SYKMAPK1LMNAALDH1A1SMN1; SMN2
SCHEMBL5359257 0.69 ADORA1 (0.41) ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL3526263 0.69 PDE3B (0.44) GSK3AGSK3B

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 SYK 681/4885MAPK1 347/4885KMT2A 822/4885

“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.