SCHEMBL1764553

SCHEMBL1764553

COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)[nH]c2=O)c2c1C(C)(C)CO2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.59
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
TYK2 P29597 2/20 0.34
JAK3 P52333 2/20 0.34
BRPF1 P55201 1/20 0.32
BRD4 O60885 3/20 0.32
DCLK1 O15075 1/20 0.32
MAPK7 Q13164 1/20 0.32
LRRK2 Q5S007 1/20 0.32
TP53 P04637 2/20 0.32
OGT O15294 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
ABL1 P00519 1/20 0.32
CDK2 P24941 1/20 0.31
CDK9 P50750 1/20 0.31
IRAK1 P51617 1/20 0.31
PTK2 Q05397 1/20 0.31
SRPK1 Q96SB4 1/20 0.31

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
SCHEMBL1764552 0.83 CRBN (0.43) CRBNJAK2JAK1TYK2JAK3
SCHEMBL1764313 0.83 CRBN (0.49) CRBNBRPF1BRD4ABL1TDP2
SCHEMBL12595090 0.82 CRBN (0.45) CRBNJAK2JAK1TYK2JAK3
SCHEMBL1764324 0.81 CRBN (0.61) CRBNBRPF1BRD4TDP2
SCHEMBL2111450 0.80 CYP3A4 (0.41) CRBNJAK2JAK1TYK2JAK3
SCHEMBL2111449 0.80 CYP3A4 (0.41) CRBNJAK2JAK1TYK2JAK3
SCHEMBL1530347 0.79 CRBN (0.79) CRBNJAK2JAK1TYK2JAK3
SCHEMBL11994036 0.77 CRBN (0.79) CRBNJAK2JAK1TYK2JAK3
SCHEMBL1530175 0.76 CRBN (0.77) CRBNJAK2JAK1TYK2JAK3
SCHEMBL1530732 0.76 CRBN (0.77) CRBNJAK2JAK1TYK2JAK3

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-20110123490-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC (US) 2011-05-26 US claimed
US-20110123490-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC (US) 2011-05-26 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 (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-20110123490-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS RRM2B, POLR2A, RRM2 CRBN 1400/4885JAK2 370/4885JAK1 749/4885

“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.