SCHEMBL18864005

SCHEMBL18864005

Cc1ccc2c(C=O)n[nH]c2n1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 0.46
ADORA2A P29274 7/20 0.46
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL24159907 0.80 ADORA2A (0.37) ADORA1ADORA2A
SCHEMBL7926347 0.75 ADORA1 (0.48) ADORA1ADORA2AKMT2AGAAKDM4E
SCHEMBL29727928 0.73 KMT2A (0.53) ADORA1ADORA2AKMT2AGAAKDM4E
SCHEMBL2160239 0.73 KMT2A (0.53) ADORA1ADORA2AKMT2AGAAKDM4E
SCHEMBL1553593 0.72 ADORA1 (0.46) ADORA1ADORA2AKMT2AGAAKDM4E
SCHEMBL12525866 0.72 ADORA1 (0.46) ADORA1ADORA2AKMT2AGAAKDM4E
SCHEMBL30445560 0.72 ADORA1 (0.46) ADORA1ADORA2AKMT2AGAAKDM4E
SCHEMBL10884409 0.72 KMT2A (0.46) ADORA1ADORA2AKMT2AGAAKDM4E
SCHEMBL22239632 0.70 ADORA1 (0.44) ADORA1ADORA2AKMT2AGAAKDM4E
SCHEMBL13119660 0.69 ADORA1 (0.43) ADORA1ADORA2AKMT2AGAAKDM4E

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-20170145005-A1 KINASE INHIBITOR THE UNIVERSITY OF TOKYO (JP) 2017-05-25 US disclosed
US-20170145005-A1 KINASE INHIBITOR THE UNIVERSITY OF TOKYO (JP) 2017-05-25 US disclosed
US-20170145005-A1 KINASE INHIBITOR THE UNIVERSITY OF TOKYO (JP) 2017-05-25 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-20170145005-A1 KINASE INHIBITOR PIM3, PIM1, PIM2 ADORA1 4825/4885ADORA2A 4855/4885KMT2A 1553/4885

“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.