SCHEMBL3936262

SCHEMBL3936262

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

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
GAA P10253 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
SAE1 Q9UBE0 1/20 0.33
UBA2 Q9UBT2 1/20 0.33
ALDH1A1 P00352 2/20 0.32
PKM P14618 2/20 0.32
LMNA P02545 1/20 0.32
GSK3B P49841 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CTSS P25774 1/20 0.30
USP7 Q93009 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
SCHEMBL3942305 0.95 KDM4E (0.35) KDM4EGAAMEN1KMT2AMAPT
SCHEMBL3942999 0.91 SAE1 (0.33) KDM4EMEN1KMT2AMAPTSAE1
SCHEMBL3944187 0.86 CTSS (0.32) KDM4EGAAMEN1KMT2ASAE1
SCHEMBL3937495 0.86 HTT (0.33) KDM4EGAAMEN1KMT2AMAPT
SCHEMBL3943684 0.83 GSK3B (0.35) KDM4EMEN1KMT2AMAPTSAE1
SCHEMBL3940318 0.81 ALDH1A1 (0.34) KDM4EGAAMEN1KMT2AMAPT
SCHEMBL3945508 0.81 ALDH1A1 (0.36) KDM4EGAAMEN1KMT2AMAPT
SCHEMBL3939388 0.80 CTSS (0.30) KDM4EGAAALDH1A1PKMCTSS
SCHEMBL3944568 0.80 KDM4E (0.32) KDM4EGAAALDH1A1PKMLMNA
SCHEMBL3941215 0.80 ADORA1 (0.34) KDM4EGAAMEN1KMT2AMAPT

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 KDM4E 1378/4885GAA 2655/4885MEN1 1751/4885

“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.