SCHEMBL4325482

SCHEMBL4325482

CCOC(=O)CCn1cc(-c2cccnc2)c(N)c1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NR4A2 P43354 2/20 0.40
CFTR P13569 1/20 0.40
DCTPP1 Q9H773 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40

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
SCHEMBL27893863 0.87 MAPK1 (0.46) NPC1RAB9AKDM4EALDH1A1MAPK1
SCHEMBL5921832 0.85 CFTR (0.48) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL4344210 0.71 BRD4 (0.43) POLBLMNANPC1RAB9AMEN1
SCHEMBL4325478 0.71 MEN1 (0.42) POLBLMNANPC1RAB9AMEN1
SCHEMBL30590656 0.69 SLC2A1 (0.48) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL30590626 0.68 DCTPP1 (0.51) POLBLMNANPC1RAB9AMEN1
SCHEMBL30590639 0.67 DCTPP1 (0.50) POLBLMNANPC1RAB9AMEN1
SCHEMBL14809834 0.67 ALDH1A1 (0.47) POLBLMNANPC1RAB9AMEN1
SCHEMBL30590662 0.66 NPC1 (0.54) POLBLMNANPC1RAB9AMEN1
SCHEMBL4335098 0.66 BRD4 (0.41) POLBLMNANPC1RAB9AMEN1

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
CN-1871240-B Pyrrolopyrimidine thion derivatives TEIJIN PHARMA LTD 2012-11-07 CN 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
CN-1871240-A Pyrrolopyrimidine thion derivatives TEIJIN PHARMA LTD (JP) 2006-11-29 CN 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 POLB 1801/4885LMNA 863/4885NPC1 1923/4885

“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.