SCHEMBL20448985

SCHEMBL20448985

Clc1nc(-c2ccc3c(c2)OCO3)c2cc[nH]c2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.64
CLK4 Q9HAZ1 3/20 0.64
DYRK1B Q9Y463 3/20 0.64
CLK2 P49760 2/20 0.64
CHEK1 O14757 1/20 0.64
AURKA O14965 1/20 0.64
DAPK3 O43293 1/20 0.64
JAK2 O60674 1/20 0.64
PRKD3 O94806 1/20 0.64
MAP4K4 O95819 1/20 0.64
PAK4 O96013 1/20 0.64
ABL1 P00519 1/20 0.64
NTRK1 P04629 1/20 0.64
LCK P06239 1/20 0.64
CSF1R P07333 1/20 0.64
RET P07949 1/20 0.64
IGF1R P08069 1/20 0.64
MET P08581 1/20 0.64
PIM1 P11309 1/20 0.64
FGFR1 P11362 1/20 0.64

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
SCHEMBL3522576 0.78 MAP2K4 (0.49) DYRK1ACLK4DYRK1BCLK2CHEK1
SCHEMBL3026919 0.74 AURKA (0.46) DYRK1ACLK4DYRK1BCLK2AURKA
SCHEMBL3023162 0.73 JAK1 (0.46) DYRK1ACLK4DYRK1BCLK2AURKA
SCHEMBL13213033 0.72 JAK2 (0.56) DYRK1ACLK4DYRK1BCLK2DAPK3
SCHEMBL20508861 0.71 CHEK1 (0.51) DYRK1ACLK4DYRK1BCLK2CHEK1
SCHEMBL12127485 0.70 PRKCI (0.65) DYRK1ACLK4DYRK1BCLK2CHEK1
SCHEMBL3827537 0.70 ADORA1 (0.52) DYRK1ACLK4DYRK1BCLK2RAB9A
SCHEMBL24528672 0.70 IKBKB (0.45) JAK2KDM4EALDH1A1ADORA1ADORA2A
SCHEMBL29681139 0.70 IKBKB (0.45) JAK2KDM4EALDH1A1ADORA1ADORA2A
SCHEMBL7253420 0.69 CCND1 (0.48) DYRK1ACLK4DYRK1BCLK2CHEK1

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 1951/4885CLK4 3756/4885DYRK1B 1953/4885

“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.