SCHEMBL4871908

SCHEMBL4871908

O=C(Nc1cccc(-c2cnc(-c3c(Cl)cccc3Cl)s2)c1)C(Cl)Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.52
HSD17B1 P14061 3/20 0.46
HSD17B2 P37059 3/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CNR1 P21554 3/20 0.44
MAPT P10636 5/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PDK1 Q15118 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
NQO2 P16083 1/20 0.40
ESR1 P03372 1/20 0.39
ESRRG P62508 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 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
SCHEMBL4872133 0.90 CNR1 (0.44) JAK3HSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL4869555 0.82 NAMPT (0.43) JAK3HSD17B1HSD17B2CNR1MAPT
SCHEMBL4873849 0.75 MAPT (0.61) JAK3CNR1MAPTMEN1KMT2A
SCHEMBL5150469 0.75 MAPT (0.75) JAK3CYP3A4CNR1MAPTMEN1
SCHEMBL4873419 0.74 HSD17B1 (0.51) HSD17B1HSD17B2CYP3A4CYP2C9MAPT
SCHEMBL27964942 0.74 JAK3 (0.54) JAK3CNR1MAPTMEN1KMT2A
SCHEMBL5172001 0.74 MAPT (0.55) JAK3CNR1MAPTMEN1KMT2A
SCHEMBL27964923 0.73 JAK3 (0.50) JAK3MAPTMEN1KMT2APDK1
SCHEMBL5173611 0.73 MAPT (0.51) JAK3CNR1MAPTMEN1KMT2A
SCHEMBL5150381 0.73 RAF1 (0.50) JAK3CNR1MAPTMEN1KMT2A

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 JAK3 1209/4885HSD17B1 1915/4885HSD17B2 2376/4885
US-20040254227-A1 Heterocyclic compounds and hydro isomers thereof HAVCR2, PCNA, HCCS JAK3 1475/4885HSD17B1 658/4885HSD17B2 813/4885

“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.