SCHEMBL20448951

SCHEMBL20448951

COc1nc(C)nc2c1c(-c1ccncc1)cn2COCC[Si](C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.45
DGAT1 O75907 4/20 0.36
PIM1 P11309 2/20 0.35
DYRK2 Q92630 2/20 0.35
DYRK1B Q9Y463 2/20 0.35
NFATC1 O95644 1/20 0.34
GSK3B P49841 1/20 0.34
KDR P35968 3/20 0.33
FLT4 P35916 2/20 0.33
EGFR P00533 1/20 0.33
IGF1R P08069 1/20 0.33
SRC P12931 1/20 0.33
FLT3 P36888 1/20 0.33
EPHB4 P54760 1/20 0.33
TEK Q02763 1/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CDK9 P50750 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
SCHEMBL15880318 0.79 MAPT (0.36) DYRK1ADGAT1NFATC1GSK3BKDR
SCHEMBL14822082 0.76 MAPT (0.38) DGAT1KDRFLT4EGFRIGF1R
SCHEMBL30544498 0.76 MAPT (0.35) DYRK1ADGAT1NFATC1GSK3BKDR
SCHEMBL20508868 0.76 DYRK1A (0.45) DYRK1ADGAT1PIM1DYRK2DYRK1B
SCHEMBL20508809 0.75 DGAT1 (0.38) DYRK1ADGAT1PIM1DYRK2DYRK1B
SCHEMBL20162876 0.75 LCK (0.39) DGAT1KDRSRCTEKMAPT
SCHEMBL15880199 0.73 LRRK2 (0.34) MAPT
SCHEMBL25420891 0.72 GCGR (0.37) DGAT1PIM1GSK3BMAPTNPC1
SCHEMBL20508770 0.72 DYRK1A (0.38) DYRK1ADGAT1PIM1DYRK2DYRK1B
SCHEMBL30461605 0.72 GCGR (0.37) DGAT1PIM1GSK3BMAPTNPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180273538-A1 PYRROLO[2,3-d]PYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2018-09-27 US disclosed
EP-3356364-A1 NEW PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS DUAL DYRK1/CLK1 INHIBITORS Les Laboratoires Servier (FR) 2018-08-08 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-20180273538-A1 PYRROLO[2,3-d]PYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DPYD, TYMS, TYMP DYRK1A 1951/4885DGAT1 3658/4885PIM1 3402/4885

“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.