SCHEMBL21153829

SCHEMBL21153829

O=c1[nH]c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2c2nccn12

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 20/20 0.69
ADORA2A P29274 14/20 0.67
ADORA3 P0DMS8 14/20 0.67
ADORA1 P30542 13/20 0.61
PLK4 O00444 1/20 0.56
CDK2 P24941 1/20 0.56
IRAK1 P51617 1/20 0.56
RPS6KA3 P51812 1/20 0.56
PLK3 Q9H4B4 1/20 0.56
CSNK1G3 Q9Y6M4 1/20 0.56

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
SCHEMBL1944916 0.82 ADORA2B (0.82) ADORA2BADORA2AADORA3ADORA1PLK4
SCHEMBL21153826 0.82 ADORA2B (0.78) ADORA2BADORA2AADORA3ADORA1PLK4
SCHEMBL1945825 0.82 ADORA2B (1.00) ADORA2BADORA2AADORA3ADORA1PLK4
SCHEMBL30012217 0.81 ADORA2B (0.71) ADORA2BADORA2AADORA3ADORA1PLK4
SCHEMBL21121166 0.81 ADORA2B (0.75) ADORA2BADORA2AADORA3ADORA1PLK4
SCHEMBL242942 0.80 ADORA2B (1.00) ADORA2BADORA2AADORA3ADORA1PLK4
SCHEMBL1947163 0.80 ADORA2B (1.00) ADORA2BADORA2AADORA3ADORA1PLK4
SCHEMBL1944981 0.79 ADORA2B (1.00) ADORA2BADORA2AADORA3ADORA1PLK4
SCHEMBL21121161 0.79 ADORA2B (0.77) ADORA2BADORA2AADORA3ADORA1PLK4
SCHEMBL1943564 0.78 ADORA2B (0.83) ADORA2BADORA2AADORA3ADORA1PLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402927-A1 TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF IMPETIS BIOSCIENCES LTD. (IN) 2022-12-22 US disclosed
US-20210070764-A1 TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF IMPETIS BIOSCIENCES LTD. (IN) 2021-03-11 US disclosed
WO-2019135259-A1 TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF IMPETIS BIOSCIENCES LTD. (IN) 2019-07-11 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-20220402927-A1 TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADORA2A, ADORA1, ADORA2B ADORA2B 3/4885ADORA2A 1/4885ADORA3 4/4885
US-20210070764-A1 TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADORA2A, ADORA3, ADORA1 ADORA2B 4/4885ADORA2A 1/4885ADORA3 2/4885

“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.