SCHEMBL3935778

SCHEMBL3935778

CCOC(=O)CCn1c(-c2occc2C)c(C#N)c2nc[nH]c(=S)c21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.33
POLB P06746 5/20 0.33
MAPT P10636 5/20 0.33
TNF P01375 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RAB9A P51151 2/20 0.32
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 6/20 0.31
GAA P10253 2/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
KMT2A Q03164 3/20 0.31
LMNA P02545 3/20 0.31
HPGD P15428 4/20 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
SCHEMBL3937243 0.84 ALDH1A1 (0.41) KDM4EPOLBMAPTTDP1RAB9A
SCHEMBL3947587 0.84 MAPK14 (0.33)
SCHEMBL3945942 0.78 TNF (0.35) KDM4EPOLBMAPTTNFTDP1
SCHEMBL13843373 0.74 HTT (0.38)
SCHEMBL3936654 0.71 HTT (0.32) KDM4EPOLBALDH1A1GAALMNA
SCHEMBL3936916 0.70 ALDH1A1 (0.34) KDM4EMAPTALDH1A1GAAALOX15
SCHEMBL3945443 0.70 HSD17B10 (0.35) KDM4EPOLBMAPTTDP1ALDH1A1
SCHEMBL3943576 0.69 ALDH1A1 (0.37) KDM4EPOLBMAPTTDP1ALDH1A1
SCHEMBL3944915 0.68 HTT (0.33)
SCHEMBL3935452 0.68 TBXAS1 (0.36) KDM4EPOLBMAPTTP53ALOX15

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 4 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
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 1378/4885POLB 399/4885MAPT 72/4885

“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.