SCHEMBL21296773

SCHEMBL21296773

O=C1NCCC2=C1[N]C=C2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 12/20 0.33
PARP1 P09874 8/20 0.33
PARP11 Q9NR21 8/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
PDPK1 O15530 1/20 0.33
ACHE P22303 1/20 0.33
CRBN Q96SW2 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MAP2K1 Q02750 1/20 0.32
PTK2B Q14289 1/20 0.30

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
SCHEMBL5109901 0.73 CRBN (0.35) PARP10PARP1PARP11F7F3
SCHEMBL24447537 0.60 PARP10 (0.33) PARP10PARP1PARP11F7F3
SCHEMBL28686021 0.57 CRBN (0.40) CRBN
SCHEMBL116223 0.57
Charcoal, Activated SCHEMBL30614618 0.55
Methane SCHEMBL10972248 0.55
SCHEMBL9058472 0.54 CRBN (0.47) PARP10PARP1PARP11F7F3
SCHEMBL21785045 0.54 CRBN (0.47) PARP10PARP1PARP11F7F3
SCHEMBL42430 0.54
SCHEMBL31059 0.54

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530181-B2 IL-6 inhibitors and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-12-20 US claimed
US-11530181-B2 IL-6 inhibitors and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-12-20 US disclosed
US-20210206718-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2021-07-08 US disclosed
WO-2019165158-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-08-29 WO 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-11530181-B2 IL-6 inhibitors and methods of treatment IL6, IL6ST, IL2 PARP10 3267/4885PARP1 3465/4885PARP11 3682/4885
US-20210206718-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT IL6, IL6ST, IL2 PARP10 3267/4885PARP1 3465/4885PARP11 3682/4885

“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.