SCHEMBL3936237

SCHEMBL3936237

COC(=O)c1c(N)c(C#N)c(-c2sccc2Cl)n1CCNC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
DRD2 P14416 7/20 0.35
PRMT5 O14744 3/20 0.33
WDR77 Q9BQA1 3/20 0.33
HPGD P15428 4/20 0.33
KDM4E B2RXH2 3/20 0.33
GLA P06280 3/20 0.33
GAA P10253 3/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PKM P14618 2/20 0.32
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.31
IDO1 P14902 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
SCHEMBL27676184 0.92 DRD2 (0.35) ALDH1A1DRD2PRMT5WDR77HPGD
SCHEMBL3936530 0.90 ALDH1A1 (0.38) ALDH1A1DRD2HPGDKDM4EGLA
SCHEMBL3936552 0.82 ALDH1A1 (0.45) ALDH1A1DRD2HPGDKDM4EGLA
SCHEMBL5983031 0.81 ALDH1A1 (0.34) ALDH1A1KDM4E
SCHEMBL3936282 0.80 ADORA2A (0.43) ALDH1A1DRD2HPGDKDM4EGLA
SCHEMBL3945249 0.80 ALDH1A1 (0.39) ALDH1A1DRD2HPGDKDM4EGLA
SCHEMBL3944905 0.78 ALDH1A1 (0.38) ALDH1A1DRD2HPGDKDM4EGLA
SCHEMBL13843439 0.77 PRMT5 (0.36) ALDH1A1DRD2PRMT5WDR77HPGD
SCHEMBL3943323 0.75 ADORA2A (0.44) ALDH1A1DRD2KDM4EMAPT
SCHEMBL5990192 0.74 PRMT5 (0.34) ALDH1A1DRD2PRMT5WDR77HPGD

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 9 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-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 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
US-20050277773-A1 Pyrrolopyrimidine derivatives TEIJIN LIMITED (JP) 2005-12-15 US disclosed
US-20050153992-A1 Pyrrolopyrimidine thion derivatives TEIJIN PHARMA LIMITED (JP) 2005-07-14 US disclosed
CN-1633436-A Pyrrolopyrimidine derivatives TEIJIN LTD (JP) 2005-06-29 CN disclosed
EP-1477489-A1 PYRROLOPYRIMIDINE DERIVATIVES TEIJIN LIMITED (JP) 2004-11-17 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 (3 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 ALDH1A1 2955/4885DRD2 956/4885PRMT5 315/4885
US-20050277773-A1 Pyrrolopyrimidine derivatives GSK3B, GSK3A, GSKIP ALDH1A1 2709/4885DRD2 2385/4885PRMT5 545/4885
US-20060160831-A1 Pyrrolopyrimidinone derivatives GSK3B, GSK3A, GSKIP ALDH1A1 2940/4885DRD2 932/4885PRMT5 436/4885

“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.