SCHEMBL3944905

SCHEMBL3944905

COC(=O)c1c(N)c(C#N)c(-c2occc2C)n1CCNC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
ADORA2A P29274 5/20 0.33
ADORA1 P30542 4/20 0.33
DRD2 P14416 3/20 0.33
ADORA3 P0DMS8 2/20 0.33
ADORA2B P29275 1/20 0.33
KDM4E B2RXH2 2/20 0.33
GLA P06280 2/20 0.33
GAA P10253 2/20 0.33
PKM P14618 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
DYRK1A Q13627 1/20 0.32
NSD2 O96028 1/20 0.32
POLB P06746 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2B6 P20813 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP3A43 Q9HB55 1/20 0.31

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
SCHEMBL3936282 0.86 ADORA2A (0.43) ALDH1A1ADORA2AADORA1DRD2ADORA3
SCHEMBL3936552 0.83 ALDH1A1 (0.45) ALDH1A1DRD2KDM4EGLAGAA
SCHEMBL3936530 0.82 ALDH1A1 (0.38) ALDH1A1DRD2KDM4EGLAGAA
SCHEMBL3943323 0.81 ADORA2A (0.44) ALDH1A1ADORA2AADORA1DRD2ADORA3
SCHEMBL3945249 0.80 ALDH1A1 (0.39) ALDH1A1DRD2KDM4EGLAGAA
SCHEMBL3936237 0.78 ALDH1A1 (0.35) ALDH1A1DRD2KDM4EGLAGAA
SCHEMBL13843281 0.76 JAK2 (0.35) ALDH1A1KDM4EGLAGAAPKM
SCHEMBL27676184 0.70 DRD2 (0.35) ALDH1A1DRD2KDM4EGLAGAA
SCHEMBL3933310 0.69 DRD2 (0.38) ALDH1A1DRD2KDM4ENSD2
SCHEMBL3939755 0.66 MAPT (0.44) ALDH1A1ADORA2AADORA1ADORA3KDM4E

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-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 ALDH1A1 2709/4885ADORA2A 2717/4885ADORA1 2784/4885

“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.