SCHEMBL3523302

SCHEMBL3523302

CC(C)Nc1nc(C2CCCC2)cn2c(=O)[nH]nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
TTK P33981 3/20 0.36
PDE5A O76074 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE1C Q14123 1/20 0.34
PDE3A Q14432 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
NR4A1 P22736 1/20 0.32
HTT P42858 1/20 0.32
BTK Q06187 1/20 0.32
SYK P43405 2/20 0.31
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30

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 0.78 PDE5A (0.33) PDE5ABTK
SCHEMBL3523063 0.78 PDE5A (0.47) CCNE1CDK2PDE5ABTK
SCHEMBL5548540 0.75 PDE5A (0.32) PDE5AKDM4EMAPTBTK
SCHEMBL3524781 0.75 CLK4 (0.45) PDE5APDE1APDE1BPDE3BPDE1C
SCHEMBL5548896 0.72 GRK6 (0.34) CCNE1CDK2
SCHEMBL5550088 0.71 AURKA (0.37) HPGD
SCHEMBL3526263 0.69 PDE3B (0.44) CCNE1CDK2TTKPDE3BPDE3A
SCHEMBL5543611 0.67 KDM5B (0.41) KDM4EALDH1A1MAPTSYKSMN1; SMN2
SCHEMBL3522851 0.63 CXCR2 (0.35) SYK
SCHEMBL5549376 0.61 CXCR2 (0.36) SYK

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 CCNE1 272/4885CDK2 12/4885TTK 1102/4885

“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.