SCHEMBL4332652

SCHEMBL4332652

CCOC(=O)CCCn1c(C2CC2)c(-c2cccnc2)c2nc[nH]c(=O)c21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
CNR2 P34972 1/20 0.38
TNF P01375 8/20 0.38
TBXAS1 P24557 3/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4A O75164 2/20 0.36
KDM4B O94953 2/20 0.36
KDM5C P41229 2/20 0.36
KDM5B Q9UGL1 2/20 0.36
CTNNB1 P35222 1/20 0.35

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
SCHEMBL4323903 0.88 TBXAS1 (0.39) CNR2TBXAS1KDM4AKDM4BKDM5C
SCHEMBL4330619 0.86 GAA (0.43) GAATNFTBXAS1LMNAPOLB
SCHEMBL13783395 0.86 TNF (0.38) GAACNR2TNF
SCHEMBL4333890 0.83 KDM4E (0.41) GAAPOLBMEN1KMT2A
SCHEMBL4326562 0.81 TNF (0.41) GAACNR2TNF
SCHEMBL4335098 0.78 BRD4 (0.41) GAATNFTBXAS1LMNAPOLB
SCHEMBL4344210 0.75 BRD4 (0.43) TBXAS1LMNAPOLBMEN1KMT2A
SCHEMBL4337828 0.73 TBXAS1 (0.41) TBXAS1
SCHEMBL4328650 0.71 TNF (0.42) GAACNR2TNF
SCHEMBL4339090 0.70 BACE1 (0.42) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1661897-B1 PYRROLOPYRIMIDINONE DERIVATIVE TEIJIN PHARMA LTD (JP) 2013-12-04 EP disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-20060160831-A1 Pyrrolopyrimidinone derivatives TEIJIN PHARMA LIMITED (JP) 2006-07-20 US disclosed
EP-1661897-A1 PYRROLOPYRIMIDINONE DERIVATIVE Teijin Pharma Limited (JP) 2006-05-31 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-20060160831-A1 Pyrrolopyrimidinone derivatives GSK3B, GSK3A, GSKIP GAA 4770/4885CNR2 107/4885TNF 3687/4885

“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.