SCHEMBL1764552

SCHEMBL1764552

COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(N2CCC(=O)NC2=O)c2c1C(C)(C)CO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.43
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
TYK2 P29597 2/20 0.33
JAK3 P52333 2/20 0.33
TDP2 O95551 3/20 0.32
ROCK2 O75116 2/20 0.32
TP53 P04637 1/20 0.32
HTR7 P34969 1/20 0.31
HTR6 P50406 1/20 0.31
BRD4 O60885 2/20 0.31
CREBBP Q92793 2/20 0.31
PIP4K2A P48426 1/20 0.31
PIP4K2B P78356 1/20 0.31
ABL1 P00519 1/20 0.31
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
SCHEMBL1764553 0.83 CRBN (0.59) CRBNJAK2JAK1TYK2JAK3
SCHEMBL12595090 0.81 CRBN (0.45) CRBNJAK2JAK1TYK2JAK3
SCHEMBL1530799 0.76 CRBN (0.65) CRBNTDP2ROCK2TP53HTR7
SCHEMBL17374986 0.73 CRBN (0.49) CRBNTDP2ROCK2TP53HTR7
SCHEMBL17375035 0.73 CRBN (0.50) CRBNTDP2ROCK2TP53HTR7
SCHEMBL17375018 0.73 CRBN (0.48) CRBNTDP2ROCK2TP53HTR7
SCHEMBL17378786 0.71 CRBN (0.46) CRBNHTR7HTR6BRD4
SCHEMBL17378918 0.71 CRBN (0.46) CRBNROCK2HTR7HTR6
SCHEMBL483387 0.69 CRBN (0.67) CRBNTDP2ROCK2TP53BRD4
SCHEMBL11996547 0.68 CRBN (0.40) CRBNTDP2ROCK2HTR7HTR6

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.