SCHEMBL20836837

SCHEMBL20836837

Cc1ccc(C2=NCCN2)cn1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 15/20 0.62
HTR1D P28221 1/20 0.53
ADRA1A P35348 1/20 0.53
PDCD1LG2 Q9BQ51 1/20 0.52
CD274 Q9NZQ7 1/20 0.52
LMNA P02545 1/20 0.51
RECQL P46063 1/20 0.51
TOP2A P11388 1/20 0.50
TOP2B Q02880 1/20 0.50

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
SCHEMBL7011598 0.79 PDCD1LG2 (0.64) NISCHHTR1DADRA1APDCD1LG2CD274
SCHEMBL5476725 0.78 NISCH (0.79) NISCHHTR1DADRA1ALMNARECQL
SCHEMBL1886692 0.77 NISCH (1.00) NISCHHTR1DADRA1ALMNARECQL
SCHEMBL23073745 0.76 NISCH (0.54) NISCHHTR1DADRA1APDCD1LG2CD274
SCHEMBL18704386 0.75 NISCH (0.61) NISCHHTR1DADRA1APDCD1LG2CD274
SCHEMBL2427129 0.74 NISCH (1.00) NISCHLMNARECQL
SCHEMBL8973479 0.74 NISCH (0.61) NISCHHTR1DADRA1APDCD1LG2CD274
SCHEMBL2518908 0.73 NISCH (0.66) NISCHHTR1DADRA1ALMNARECQL
SCHEMBL2361324 0.73 NISCH (0.53) NISCHHTR1DADRA1APDCD1LG2CD274
SCHEMBL20355569 0.71 GPR119 (0.48) NISCHPDCD1LG2CD274LMNARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373948-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF Astellas Engineered Small Molecules US, Incorporated 2023-11-23 US disclosed
US-11578052-B2 PPAR agonists, compounds, pharmaceutical compositions, and methods of use thereof MITOBRIDGE, INC. (US) 2023-02-14 US disclosed
US-20210253549-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF THE SALK INSTITUTE FOR BIOLOGICAL STUDIES 2021-08-19 US disclosed
US-10399958-B2 PPAR agonists, compounds, pharmaceutical compositions, and methods of use thereof MITOBRIDGE, INC. (US) 2019-09-03 US disclosed
US-20190084958-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF MITOBRIDGE, INC. (US) 2019-03-21 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 (5 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-20210253549-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF PPARG, PPARD, PPARA NISCH 4175/4885HTR1D 1325/4885ADRA1A 77/4885
US-20190084958-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF PPARG, PPARA, PPARD NISCH 4330/4885HTR1D 1554/4885ADRA1A 136/4885
US-10399958-B2 PPAR agonists, compounds, pharmaceutical compositions, and methods of use thereof PPARG, PPARA, PPARD NISCH 4330/4885HTR1D 1554/4885ADRA1A 136/4885
US-20230373948-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF PPARG, PPARD, PPARA NISCH 4175/4885HTR1D 1325/4885ADRA1A 77/4885
US-11578052-B2 PPAR agonists, compounds, pharmaceutical compositions, and methods of use thereof PPARG, PPARD, PPARA NISCH 4175/4885HTR1D 1325/4885ADRA1A 77/4885

“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.