SCHEMBL3942999

SCHEMBL3942999

N#Cc1c(-c2ccco2)n(CCCNC(=O)C(F)(F)F)c2c(=O)[nH]cnc12

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 1/20 0.33
UBA2 Q9UBT2 1/20 0.33
HTT P42858 1/20 0.32
GSK3B P49841 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
USP7 Q93009 1/20 0.30
HSD17B10 Q99714 2/20 0.30
PRNP P04156 1/20 0.30
HPGD P15428 1/20 0.30
MAPK10 P53779 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL3937495 0.95 HTT (0.33) SAE1UBA2HTTMEN1KMT2A
SCHEMBL3936262 0.91 KDM4E (0.33) SAE1UBA2GSK3BMEN1KMT2A
SCHEMBL13843412 0.86 ADORA2A (0.40)
SCHEMBL3942305 0.86 KDM4E (0.35) SAE1UBA2MEN1KMT2ATDP1
SCHEMBL3943684 0.84 GSK3B (0.35) SAE1UBA2HTTGSK3BMEN1
SCHEMBL3942240 0.82 HTT (0.38) SAE1UBA2HTTMEN1KMT2A
Hydrochloric Acid SCHEMBL3935726 0.81 HTT (0.37) SAE1UBA2HTTMEN1KMT2A
SCHEMBL13843283 0.81 ADORA2A (0.39) HPGDKDM4EALDH1A1LMNA
SCHEMBL3943935 0.81 KDM4E (0.36) HTTMEN1KMT2AHSD17B10HPGD
SCHEMBL13843307 0.80 HTT (0.39) HTTMEN1KMT2ATDP1L3MBTL1

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 SAE1 2822/4885UBA2 4716/4885HTT 3815/4885

“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.