SCHEMBL3943576

SCHEMBL3943576

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
TDP1 Q9NUW8 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HSD11B1 P28845 3/20 0.35
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
SIGMAR1 Q99720 3/20 0.35
ABCC1 P33527 1/20 0.35
LMNA P02545 2/20 0.34
GAA P10253 3/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR1A P08908 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL3935452 0.87 TBXAS1 (0.36) NPSR1LMNAKDM4EPOLBKMT2A
SCHEMBL3937243 0.85 ALDH1A1 (0.41) ALDH1A1TDP1NPSR1RXFP1LMNA
SCHEMBL3945443 0.85 HSD17B10 (0.35) ALDH1A1TDP1NPSR1RXFP1LMNA
SCHEMBL3936916 0.83 ALDH1A1 (0.34) ALDH1A1NPSR1RXFP1GAAHPGD
SCHEMBL3936795 0.83 ALDH1A1 (0.36) ALDH1A1RXFP1LMNAHPGDKDM4E
SCHEMBL3934038 0.82 POLB (0.41) POLB
SCHEMBL4132211 0.81 ALDH1A1 (0.34) ALDH1A1LMNAGAAHPGDKDM4E
SCHEMBL7125506 0.81 ALDH1A1 (0.39) ALDH1A1NPSR1RXFP1LMNAHPGD
SCHEMBL3936582 0.81 ALDH1A1 (0.35) ALDH1A1ABCC1LMNAHPGDKDM4E
Propionic Acid SCHEMBL3938090 0.80 TP53 (0.38) ALDH1A1HPGDKDM4EPOLBHTR1A

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 2709/4885TDP1 301/4885NPSR1 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.