SCHEMBL3937243

SCHEMBL3937243

CCOC(=O)CCn1c(-c2ccccc2)c(C#N)c2nc[nH]c(=S)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
SQOR Q9Y6N5 1/20 0.41
KDM4E B2RXH2 7/20 0.40
HSD17B10 Q99714 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALOX15 P16050 1/20 0.40
FAAH O00519 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 3/20 0.38
GAA P10253 2/20 0.37
MAPT P10636 3/20 0.36
HPGD P15428 3/20 0.36
ABL1 P00519 1/20 0.36
TSHR P16473 1/20 0.36
RIN1 Q13671 1/20 0.36
POLB P06746 2/20 0.36

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
SCHEMBL3938582 0.90 KDM4E (0.42) ALDH1A1SQORKDM4EHSD17B10SMN1; SMN2
SCHEMBL3936916 0.85 ALDH1A1 (0.34) ALDH1A1HTTNPSR1RXFP1SQOR
SCHEMBL3945443 0.85 HSD17B10 (0.35) ALDH1A1HTTNPSR1RXFP1KDM4E
SCHEMBL3943576 0.85 ALDH1A1 (0.37) ALDH1A1NPSR1RXFP1KDM4EKMT2A
SCHEMBL3935778 0.84 KDM4E (0.33) ALDH1A1NPSR1RXFP1KDM4EHSD17B10
SCHEMBL3935452 0.84 TBXAS1 (0.36) NPSR1KDM4EHSD17B10ALOX15MEN1
SCHEMBL7125506 0.82 ALDH1A1 (0.39) ALDH1A1HTTNPSR1RXFP1SQOR
Propionic Acid SCHEMBL3938090 0.81 TP53 (0.38) ALDH1A1HTTKDM4EHPGDTSHR
SCHEMBL3945942 0.80 TNF (0.35) ALDH1A1HTTNPSR1RXFP1KDM4E
SCHEMBL3936795 0.80 ALDH1A1 (0.36) ALDH1A1HTTRXFP1KDM4EHSD17B10

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 ALDH1A1 2709/4885HTT 3815/4885NPSR1 4370/4885

“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.