SCHEMBL3945249

SCHEMBL3945249

COC(=O)c1c(N)c(C#N)c(-c2cccn2C)n1CCNC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
DRD2 P14416 7/20 0.36
KDM4E B2RXH2 5/20 0.35
HPGD P15428 5/20 0.35
PKM P14618 4/20 0.35
GLA P06280 4/20 0.35
GAA P10253 4/20 0.35
LMNA P02545 1/20 0.35
BCHE P06276 1/20 0.33
NSD2 O96028 1/20 0.33
POLB P06746 3/20 0.33
HSD17B10 Q99714 2/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 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
SCHEMBL3946936 0.92 ALDH1A1 (0.35) ALDH1A1DRD2KDM4EHPGDPKM
SCHEMBL3936552 0.86 ALDH1A1 (0.45) ALDH1A1DRD2KDM4EHPGDPKM
SCHEMBL3936282 0.84 ADORA2A (0.43) ALDH1A1DRD2KDM4EHPGDGLA
SCHEMBL3944905 0.80 ALDH1A1 (0.38) ALDH1A1DRD2KDM4EHPGDPKM
SCHEMBL3936530 0.80 ALDH1A1 (0.38) ALDH1A1DRD2KDM4EHPGDPKM
SCHEMBL3936237 0.80 ALDH1A1 (0.35) ALDH1A1DRD2KDM4EHPGDPKM
SCHEMBL3943323 0.79 ADORA2A (0.44) ALDH1A1DRD2KDM4E
SCHEMBL4332600 0.76 ALDH1A1 (0.38) ALDH1A1DRD2
SCHEMBL13843277 0.75 JAK2 (0.36) ALDH1A1DRD2KDM4EHPGDPKM
SCHEMBL27676184 0.71 DRD2 (0.35) ALDH1A1DRD2KDM4EHPGDPKM

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 2709/4885DRD2 2385/4885KDM4E 1378/4885

“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.