SCHEMBL23772002

SCHEMBL23772002

Cn1cc(C(=O)Nc2nccn2F)c(=O)cc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.40
CNR1 P21554 4/20 0.40
FDPS P14324 1/20 0.34
HPGDS O60760 1/20 0.34
RPS6KA3 P51812 1/20 0.32
RPS6KA2 Q15349 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
S1PR1 P21453 5/20 0.31
S1PR3 Q99500 5/20 0.31
SCN8A Q9UQD0 2/20 0.31
SCN10A Q9Y5Y9 2/20 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
SCHEMBL23772004 0.90 CNR2 (0.43) CNR2CNR1FDPSHPGDSRPS6KA3
SCHEMBL23772070 0.78 CFTR (0.31) RPS6KA3RPS6KA2
SCHEMBL23771989 0.77 NPC1 (0.33) FDPSHPGDSNPC1RAB9AS1PR1
SCHEMBL23771936 0.75 CFTR (0.34) FDPSHPGDSRPS6KA3RPS6KA2
SCHEMBL23772022 0.75 NPC1 (0.59) CNR2CNR1NPC1RAB9A
SCHEMBL23772067 0.73 BRD4 (0.46) CNR2CNR1
SCHEMBL23771964 0.70 NPC1 (0.36) FDPSHPGDSNPC1RAB9A
SCHEMBL23772010 0.69 CNR2 (0.41) CNR2CNR1
SCHEMBL23772066 0.68 ALDH1A1 (0.42) CNR2CNR1
SCHEMBL23772011 0.67 L3MBTL1 (0.39) CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210251991-A1 SUBSTITUTED 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2021-08-19 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-20210251991-A1 SUBSTITUTED 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME HAVCR2, CDV3, HMBS CNR2 3045/4885CNR1 3699/4885FDPS 100/4885

“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.