SCHEMBL14320548

SCHEMBL14320548

COc1ccc(Cn2cc3nc(-c4cccc(S(F)(F)(F)(F)F)c4)nc(Cl)c3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.42
ADORA2A P29274 4/20 0.42
ADORA1 P30542 4/20 0.42
ADORA2B P29275 3/20 0.42
HDAC6 Q9UBN7 2/20 0.38
TP53 P04637 2/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
HDAC1 Q13547 1/20 0.36
MAT2A P31153 1/20 0.35

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
SCHEMBL14320565 0.88 ADORA2A (0.51) ADORA3ADORA2AADORA1ADORA2BHDAC6
SCHEMBL14320541 0.87 ADORA3 (0.46) ADORA3ADORA2AADORA1ADORA2BHDAC6
SCHEMBL14320268 0.87 ADORA3 (0.46) ADORA3ADORA2AADORA1ADORA2BTP53
SCHEMBL15652292 0.85 ADORA3 (0.49) ADORA3ADORA2AADORA1ADORA2BTP53
SCHEMBL14320862 0.85 GRIN1 (0.48) ADORA3ADORA2AADORA1ADORA2BHDAC6
SCHEMBL13734641 0.85 ADORA3 (0.58) ADORA3ADORA2AADORA1ADORA2BTP53
SCHEMBL14320473 0.84 ADORA3 (0.41) ADORA3ADORA2AADORA1ADORA2BTP53
SCHEMBL14320364 0.84 HDAC1 (0.45) ADORA3ADORA2AADORA1ADORA2BHDAC6
SCHEMBL14320357 0.83 ADORA3 (0.43) ADORA3ADORA2AADORA1ADORA2BHDAC6
SCHEMBL14320731 0.83 ADORA3 (0.49) ADORA3ADORA2AADORA1ADORA2BTP53

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
EP-2699579-B1 PYRAZOLO[4,3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-10-07 EP claimed
US-20120329780-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US claimed
US-9802937-B2 Substituted pyrazolo{4,3-D}pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-10-31 US disclosed
EP-2699579-B1 PYRAZOLO[4,3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-10-07 EP disclosed
US-20120329780-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 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-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK ADORA3 4155/4885ADORA2A 3806/4885ADORA1 3688/4885

“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.