SCHEMBL3523063

SCHEMBL3523063

CC(C)Nc1nc(Br)cn2c(=O)[nH]nc12

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.47
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
BTK Q06187 1/20 0.32
GSK3B P49841 8/20 0.31
GSK3A P49840 7/20 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
SCHEMBL3524484 0.83 PDE5A (0.33) PDE5ABTKGSK3BGSK3A
SCHEMBL5548540 0.81 PDE5A (0.32) PDE5ABTKGSK3BGSK3A
SCHEMBL3523302 0.78 CCNE1 (0.36) PDE5ACCNE1CDK2BTK
SCHEMBL3524781 0.78 CLK4 (0.45) PDE5ABTK
SCHEMBL3526263 0.74 PDE3B (0.44) CCNE1CDK2GSK3BGSK3A
SCHEMBL3528537 0.72 PDE5A (0.54) PDE5ACCNE1CDK2GSK3BGSK3A
SCHEMBL15722493 0.72 LMNA (0.46)
SCHEMBL5543611 0.69 KDM5B (0.41)
SCHEMBL5355902 0.68 ADORA1 (0.45)
SCHEMBL3522851 0.68 CXCR2 (0.35)

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 5 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
EP-1678180-A1 SUBSTITUTED 2H- 1,2,4 TRIAZOLO 4,3-A PYRAZINES AS GSK-3 INHIBITORS Pfizer Products Incorporated (US) 2006-07-12 EP disclosed
WO-2005035532-A1 SUBSTITUTED 2H-[1,2,4]TRIAZOLO[4,3-A]PYRAZINES AS GSK-3 INHIBITORS PFIZER PRODUCTS INC. (US) 2005-04-21 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 (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 PDE5A 729/4885CCNE1 272/4885CDK2 12/4885

“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.