SCHEMBL1801293

SCHEMBL1801293

O=c1cc(-c2cc(F)c(F)cc2F)c2c(C3=CC=C3)[nH]nc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
JAK1 P23458 6/20 0.36
JAK2 O60674 4/20 0.36
TYK2 P29597 4/20 0.36
JAK3 P52333 4/20 0.36
MAP4K4 O95819 2/20 0.36
PIM1 P11309 1/20 0.36
GPX4 P36969 1/20 0.36
GSK3B P49841 1/20 0.36
PIM3 Q86V86 1/20 0.36
BRSK1 Q8TDC3 1/20 0.36
MAP4K5 Q9Y4K4 1/20 0.36
MAPK14 Q16539 1/20 0.36
PAK4 O96013 2/20 0.34
PRKX P51817 2/20 0.34
RET P07949 1/20 0.34

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
Hydrochloric Acid SCHEMBL4714406 0.99 KDM4E (0.38) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL1803254 0.79 JAK1 (0.60) KDM4EALDH1A1TP53HPGDHSD17B10
Hydrochloric Acid SCHEMBL4714306 0.78 JAK1 (0.59) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL4715014 0.75 MAP4K4 (0.58) KDM4EALDH1A1TP53HPGDHSD17B10
Hydrochloric Acid SCHEMBL4715433 0.74 KDM4E (0.59) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL1801291 0.72 JAK1 (0.57) JAK1JAK2TYK2JAK3
Hydrochloric Acid SCHEMBL4714401 0.71 JAK1 (0.56) JAK1JAK2TYK2JAK3
SCHEMBL1662422 0.66 DAO (0.48) KDM4ETP53MAPK14PAK4PRKX
SCHEMBL1802992 0.63 HPGD (0.73) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL13291388 0.56 INPPL1 (0.35) ALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4680897-B2 2011-05-11 JP claimed
EP-1641454-B1 PYRAZOLO[3,4-B]PYRIDIN-6-ONES AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2008-10-01 EP claimed
US-7300943-B2 GSK-3 inhibitors PFIZER INC. (US) 2007-11-27 US claimed
JP-2007516169-A 2007-06-21 JP claimed
EP-1641454-A1 PYRAZOLO[3,4-B]PYRIDIN-6-ONES AS GSK-3 INHIBITORS Pfizer Products Inc. (US) 2006-04-05 EP claimed
US-20050026946-A1 GSK-3 inhibitors PFIZER INC 2005-02-03 US claimed
WO-2005000303-A1 PYRAZOLO`3,4-B!PYRIDIN-6-ONES AS GSK-3 INHIBITORS PFIZER PRODUCTS INC. (US) 2005-01-06 WO claimed

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-20050026946-A1 GSK-3 inhibitors GSK3B, GSK3A, GSKIP KDM4E 2004/4885ALDH1A1 1553/4885TP53 56/4885

“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.