SCHEMBL4558219

SCHEMBL4558219

CC(C)(C)OC(=O)NCCn1c(-c2sccc2Cl)c(C(N)=O)c2nc[nH]c(=O)c21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
DRD2 P14416 3/20 0.34
STK17B O94768 1/20 0.33
STK17A Q9UEE5 1/20 0.33
STING1 Q86WV6 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GFER P55789 1/20 0.32
TDP1 Q9NUW8 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
ATM Q13315 1/20 0.31
BCHE P06276 1/20 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
SCHEMBL5990192 0.93 PRMT5 (0.34) L3MBTL1JAK2JAK1DRD2ALDH1A1
SCHEMBL4558848 0.91 L3MBTL1 (0.37) L3MBTL1JAK2JAK1DRD2STK17B
SCHEMBL13783368 0.91 L3MBTL1 (0.38) L3MBTL1JAK2JAK1DRD2STK17B
SCHEMBL13783364 0.89 L3MBTL1 (0.37) L3MBTL1JAK2JAK1DRD2STK17B
SCHEMBL13783363 0.89 L3MBTL1 (0.37) L3MBTL1JAK2JAK1DRD2STK17B
SCHEMBL13783382 0.88 L3MBTL1 (0.37) L3MBTL1JAK2JAK1DRD2STK17B
SCHEMBL13783618 0.88 L3MBTL1 (0.37) L3MBTL1JAK2JAK1DRD2STK17B
SCHEMBL13843439 0.87 PRMT5 (0.36) L3MBTL1JAK2JAK1DRD2STK17B
SCHEMBL13783373 0.87 JAK2 (0.36) L3MBTL1JAK2JAK1DRD2STK17B
SCHEMBL13783374 0.85 L3MBTL1 (0.34) L3MBTL1JAK2JAK1DRD2STK17B

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 8 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-1661896-A1 PYRROLOPYRIMIDINETHIONE DERIVATIVE Teijin Pharma Limited (JP) 2006-05-31 EP disclosed
EP-1661897-A1 PYRROLOPYRIMIDINONE DERIVATIVE Teijin Pharma Limited (JP) 2006-05-31 EP disclosed
US-20050153992-A1 Pyrrolopyrimidine thion derivatives TEIJIN PHARMA LIMITED (JP) 2005-07-14 US 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 (2 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-20050153992-A1 Pyrrolopyrimidine thion derivatives GSK3B, GSK3A, GSKIP L3MBTL1 1062/4885JAK2 705/4885JAK1 1117/4885
US-20060160831-A1 Pyrrolopyrimidinone derivatives GSK3B, GSK3A, GSKIP L3MBTL1 1786/4885JAK2 783/4885JAK1 1450/4885

“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.