SCHEMBL3944832

SCHEMBL3944832

COc1ccccc1-c1[nH]c2c(=O)[nH]cnc2c1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
BRD4 O60885 1/20 0.44
PDE10A Q9Y233 1/20 0.42
IDO1 P14902 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
MDM2 Q00987 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 2/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
FYN P06241 1/20 0.38
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37

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
SCHEMBL3945684 0.86 HTT (0.41) HTTKDM4EALDH1A1GLAGAA
SCHEMBL3938183 0.82 PNP (0.35) HTTKDM4EALDH1A1BRD4LMNA
SCHEMBL27616280 0.82 BRD4 (0.46) HTTBRD4IDO1FGFR1FGFR2
SCHEMBL3935637 0.79 DYRK1A (0.49) HTTKDM4EALDH1A1GAAHPGD
SCHEMBL29554478 0.79 HTT (0.58) HTTKDM4EALDH1A1GLAGAA
SCHEMBL13946131 0.79 HTT (0.58) HTTKDM4EALDH1A1GLAGAA
SCHEMBL20828260 0.73 HTT (0.54) HTTKDM4EALDH1A1GLAGAA
SCHEMBL29555615 0.71 HTT (0.46) HTTKDM4EALDH1A1GLAGAA
SCHEMBL2001210 0.69 HTT (0.50) HTTKDM4EALDH1A1GLAGAA
SCHEMBL13780528 0.69 HTT (0.44) HTTALDH1A1FGFR1ABL1CLK2

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 3815/4885KDM4E 1378/4885ALDH1A1 2709/4885

“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.