SCHEMBL3938183

SCHEMBL3938183

N#Cc1c(-c2ccccc2Br)[nH]c2c(=O)[nH]cnc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 3/20 0.35
HTT P42858 1/20 0.34
BRD4 O60885 1/20 0.34
USP8 P40818 1/20 0.34
USP7 Q93009 1/20 0.34
PDPK1 O15530 1/20 0.33
LMNA P02545 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
GSK3B P49841 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
ATM Q13315 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL3938196 0.85 ALDH1A1 (0.35) HTTLMNAGPR55ALDH1A1POLB
SCHEMBL3944832 0.82 HTT (0.48) PNPHTTBRD4LMNAALDH1A1
SCHEMBL3935637 0.82 DYRK1A (0.49) PNPHTTPDPK1ALDH1A1RXFP1
SCHEMBL3935473 0.77 HTT (0.41) PNPHTTPDPK1ALDH1A1ATM
SCHEMBL13780528 0.71 HTT (0.44) PNPHTTPDPK1ALDH1A1CDK1
SCHEMBL3937317 0.70 IDO1 (0.35) LMNAALDH1A1POLBRXFP1KDM4E
SCHEMBL3945684 0.68 HTT (0.41) HTTBRD4ALDH1A1RXFP1KDM4E
SCHEMBL13946193 0.65 LMNA (0.47) HTTBRD4USP8PDPK1LMNA
SCHEMBL6924053 0.63 PARP1 (0.40) PNPALDH1A1GSK3BCDK5DYRK1A
SCHEMBL13946366 0.62 ALDH1A1 (0.45) HTTALDH1A1POLBRXFP1KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 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-20050277773-A1 Pyrrolopyrimidine derivatives TEIJIN LIMITED (JP) 2005-12-15 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 (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-20050277773-A1 Pyrrolopyrimidine derivatives GSK3B, GSK3A, GSKIP PNP 1547/4885HTT 3815/4885BRD4 1309/4885

“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.