SCHEMBL3935637

SCHEMBL3935637

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.49
HSD11B1 P28845 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
PDPK1 O15530 1/20 0.42
XDH P47989 1/20 0.42
PNP P00491 1/20 0.41
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
ATM Q13315 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE9A O76083 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PPARG P37231 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL3938183 0.82 PNP (0.35) DYRK1AALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL3944832 0.79 HTT (0.48) ALDH1A1HPGDPNPKDM4EGAA
SCHEMBL3935473 0.75 HTT (0.41) DYRK1AALDH1A1HPGDPDPK1PNP
SCHEMBL13780528 0.75 HTT (0.44) DYRK1AALDH1A1PDPK1PNPHTT
SCHEMBL3943304 0.73 DYRK1A (0.52) DYRK1AHSD11B1ALDH1A1HPGDCYP1A2
SCHEMBL14501788 0.73 ALDH1A1 (0.56) ALDH1A1HPGDCYP1A2CYP2C9XDH
SCHEMBL3281744 0.72 PARP1 (0.50) DYRK1AHSD11B1ALDH1A1HPGDCYP1A2
SCHEMBL4331592 0.72 TYMP (0.42) DYRK1AALDH1A1HPGDPDPK1PNP
SCHEMBL3938123 0.72 ACMSD (0.41) DYRK1AALDH1A1XDHKDM4E
SCHEMBL13945495 0.72 HPGD (0.55) ALDH1A1HPGDCYP1A2CYP2C9XDH

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 DYRK1A 1168/4885HSD11B1 647/4885ALDH1A1 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.