SCHEMBL4323903

SCHEMBL4323903

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 10/20 0.39
KDM4A O75164 2/20 0.38
KDM4B O94953 2/20 0.38
KDM5C P41229 2/20 0.38
KDM5B Q9UGL1 2/20 0.38
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
PDK2 Q15119 1/20 0.33
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
CNR2 P34972 1/20 0.33
HTR2B P41595 1/20 0.33
GPR35 Q9HC97 1/20 0.33

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
SCHEMBL4332652 0.88 GAA (0.41) TBXAS1KDM4AKDM4BKDM5CKDM5B
SCHEMBL4337828 0.85 TBXAS1 (0.41) TBXAS1PDK2GPR35
SCHEMBL4333890 0.84 KDM4E (0.41)
SCHEMBL4325427 0.83 ACVR1 (0.36) KDM4AKDM4BKDM5CKDM5BPDK2
SCHEMBL4337751 0.76 BRD4 (0.41) TBXAS1KDM4AKDM4BKDM5CKDM5B
SCHEMBL4339090 0.74 BACE1 (0.42) PARP1
SCHEMBL4330570 0.70 KDM4E (0.42)
SCHEMBL4337689 0.69 ACVR1 (0.38) PDK2
SCHEMBL4341331 0.67 HPGDS (0.43) KDM4AKDM4BKDM5CKDM5BGABRA1
SCHEMBL4558204 0.67 PARP1 (0.34) KDM4AKDM4BKDM5CKDM5BPARP1

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 TBXAS1 2476/4885KDM4A 915/4885KDM4B 1438/4885

“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.