SCHEMBL21296767

SCHEMBL21296767

O=C1[N]c2[nH]ccc2C(=O)N1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.35
GSK3B P49841 1/20 0.34
IDO1 P14902 1/20 0.34
MAP2K1 Q02750 1/20 0.32
MAPT P10636 1/20 0.31
CASP3 P42574 1/20 0.30
CASP2 P42575 1/20 0.30
CASP7 P55210 1/20 0.30
CASP6 P55212 1/20 0.30
CASP8 Q14790 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
SCHEMBL5393650 0.66 GSK3B (0.48) PARP1GSK3BIDO1MAP2K1MAPT
SCHEMBL24783216 0.64 CDC7 (0.33) PARP1MAPT
SCHEMBL21296775 0.64 GSK3B (0.52) PARP1GSK3BMAPTCASP3CASP2
SCHEMBL555451 0.64 GSK3B (0.52) PARP1GSK3BMAPTCASP3CASP2
SCHEMBL2424580 0.63 MAP2K1 (0.41) PARP1GSK3BIDO1MAP2K1MAPT
SCHEMBL21296739 0.62 GSK3B (0.34) GSK3BCASP3CASP2CASP7CASP6
SCHEMBL7847706 0.62
SCHEMBL1072291 0.60 IDO1 (0.36) IDO1MAP2K1MAPT
SCHEMBL3276747 0.58 TDP2 (0.47) PARP1MAP2K1CASP3CASP7CASP6
SCHEMBL1887298 0.58

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 PARP1 3465/4885GSK3B 1419/4885IDO1 297/4885
US-20210206718-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT IL6, IL6ST, IL2 PARP1 3465/4885GSK3B 1419/4885IDO1 297/4885

“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.