SCHEMBL3944813

SCHEMBL3944813

N#Cc1c(-c2ccccc2)n(CCCO)c2c(=O)[nH]cnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
PDPK1 O15530 1/20 0.37
TSHR P16473 2/20 0.37
TLR7 Q9NYK1 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
BRD4 O60885 2/20 0.35
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
FRK P42685 1/20 0.34
MAPK9 P45984 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
GSK3B P49841 1/20 0.34
PRKD2 Q9BZL6 1/20 0.34
MAP4K5 Q9Y4K4 1/20 0.34
EPHB4 P54760 1/20 0.34

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
SCHEMBL3940363 0.93 HTT (0.41) HTTPDPK1TSHRKDM4EMEN1
SCHEMBL3946210 0.87 HTT (0.41) HTTPDPK1TSHRKDM4EMEN1
Hydrochloric Acid SCHEMBL3937247 0.86 HTT (0.41) HTTPDPK1TSHRKDM4EMEN1
SCHEMBL7118856 0.84 HTT (0.43) HTTPDPK1TSHRKDM4EMEN1
SCHEMBL13843369 0.82 KDM4E (0.43) HTTTDP1KDM4EMEN1MAPT
SCHEMBL3944975 0.82 HTT (0.36) HTTPDPK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL3937914 0.82 ALDH1A1 (0.50) HTTPDPK1KDM4EMEN1MAPT
SCHEMBL3938582 0.81 KDM4E (0.42) TSHRTDP1KDM4EMEN1MAPT
SCHEMBL3938948 0.80 HTT (0.48) HTTPDPK1TSHRKDM4EMEN1
SCHEMBL3943935 0.80 KDM4E (0.36) HTTKDM4EMEN1MAPTKMT2A

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 HTT 3815/4885PDPK1 18/4885TSHR 3844/4885

“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.