SCHEMBL4337828

SCHEMBL4337828

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 12/20 0.41
FFAR4 Q5NUL3 1/20 0.36
TYMP P19971 1/20 0.36
PDK2 Q15119 1/20 0.35
MCL1 Q07820 1/20 0.35
GPR35 Q9HC97 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
MAPT P10636 1/20 0.34

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 0.85 TBXAS1 (0.39) TBXAS1PDK2GPR35
SCHEMBL4339090 0.82 BACE1 (0.42) EGLN1MAPT
SCHEMBL4337689 0.81 ACVR1 (0.38) PDK2EGLN1
SCHEMBL4337751 0.79 BRD4 (0.41) TBXAS1PDK2MCL1
SCHEMBL4332652 0.73 GAA (0.41) TBXAS1
SCHEMBL4333890 0.70 KDM4E (0.41) MAPT
SCHEMBL4330618 0.70 HPGD (0.38) TYMPMAPT
SCHEMBL4341345 0.69 SCD (0.40)
Hydrochloric Acid SCHEMBL4323840 0.69 HPGD (0.37) TYMPMAPT
SCHEMBL5983917 0.68 HPGD (0.33) MAPT

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 2476/4885FFAR4 866/4885TYMP 3645/4885

“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.