SCHEMBL4868670

SCHEMBL4868670

O=C(Nc1ccc(-c2cnc(-c3c(Cl)cccc3Cl)[nH]2)cc1)C(Cl)Cl

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.55
PTGES O14684 4/20 0.47
MAPT P10636 5/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SCN2A Q99250 1/20 0.40
JAK3 P52333 1/20 0.39
DGAT1 O75907 1/20 0.39
SCN9A Q15858 1/20 0.38
TNKS O95271 1/20 0.38
NQO2 P16083 1/20 0.38
NPY5R Q15761 1/20 0.37
PDK1 Q15118 1/20 0.37
NR2E3 Q9Y5X4 1/20 0.37

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
SCHEMBL4865624 0.91 PTGES (0.49) JAK2PTGESMAPTTP53MEN1
SCHEMBL4872133 0.76 CNR1 (0.44) MAPTMEN1ALDH1A1HPGDHTT
SCHEMBL4869555 0.75 NAMPT (0.43) MAPTTP53MEN1ALDH1A1HPGD
SCHEMBL4868586 0.74 SMO (0.56) MAPTTP53MEN1ALDH1A1HPGD
SCHEMBL4865163 0.74 SMO (0.56) MAPTTP53MEN1ALDH1A1HPGD
SCHEMBL3796557 0.73 PTGES (0.53) JAK2PTGESMEN1ALDH1A1KMT2A
SCHEMBL3795105 0.71 PTGES (0.52) JAK2PTGESMAPTTP53HPGD
SCHEMBL3800707 0.71 PTGES (0.60) JAK2PTGESALDH1A1NR2E3
SCHEMBL4872698 0.71 JAK2 (0.62) JAK2PTGESMAPTMEN1ALDH1A1
SCHEMBL4871581 0.70 MAPT (0.43) MAPTMEN1ALDH1A1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7326790-B2 Diphenylisoxazole compounds and hydro isomers thereof RIGEL PHARMACEUTICALS, INC. (US) 2008-02-05 US disclosed
US-7220745-B2 Heterocyclic compounds useful to treat HCV RIGEL PHARMACEUTICALS (US) 2007-05-22 US disclosed
EP-1641452-A1 HETEROCYCLIC COMPOUNDS USEFUL TO TREAT HCV Rigel Pharmaceuticals (US) 2006-04-05 EP disclosed
EP-1620412-A2 HETEROCYCLIC COMPOUNDS AND HYDRO ISOMERS THEREOF Rigel Pharmaceuticals, Inc. (US) 2006-02-01 EP disclosed
US-20040254227-A1 Heterocyclic compounds and hydro isomers thereof MIDCAP FINANCIAL TRUST 2004-12-16 US disclosed
WO-2004103366-A1 HETEROCYCLIC COMPOUNDS USEFUL TO TREAT HCV RIGEL PHARMACEUTICALS (US) 2004-12-02 WO disclosed
WO-2004099165-A2 HETEROCYCLIC COMPOUNDS AND HYDRO ISOMERS THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2004-11-18 WO disclosed
US-20040142985-A1 Heterocyclic compounds useful to treat HCV RIGEL PHARMACEUTICALS 2004-07-22 US 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 (2 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-20040142985-A1 Heterocyclic compounds useful to treat HCV HAVCR2, PCNA, HCCS JAK2 206/4885PTGES 1270/4885MAPT 4317/4885
US-20040254227-A1 Heterocyclic compounds and hydro isomers thereof HAVCR2, PCNA, HCCS JAK2 120/4885PTGES 915/4885MAPT 4266/4885

“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.