SCHEMBL23978003

SCHEMBL23978003

Cc1ccnc(O[C@H](C)C(F)(F)F)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.44
EDNRA P25101 1/20 0.44
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
RXRA P19793 12/20 0.37
GRIN1 Q05586 12/20 0.37
GRIN2B Q13224 12/20 0.37
CYP11B1 P15538 1/20 0.36
ACACB O00763 1/20 0.33
LRRK2 Q5S007 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32

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
SCHEMBL12593659 0.80 EDNRB (0.46) EDNRBEDNRAKMT2AMEN1POLB
SCHEMBL29370636 0.80 EDNRB (0.46) EDNRBEDNRAKMT2AMEN1POLB
SCHEMBL31174746 0.78 RXRA (0.45) EDNRBEDNRAKMT2AMEN1POLB
SCHEMBL25211129 0.78 RXRA (0.45) EDNRBEDNRAKMT2AMEN1POLB
SCHEMBL29072666 0.78 CTSK (0.33) CYP11B1ACACBLRRK2
SCHEMBL26099703 0.77 ACACB (0.37) CYP11B1ACACBLRRK2
SCHEMBL25596642 0.77 EDNRB (0.47) EDNRBEDNRAKMT2AMEN1POLB
SCHEMBL10805820 0.75 RXRA (0.38) EDNRBEDNRAKMT2AMEN1POLB
SCHEMBL24589997 0.74 RXRA (0.45) EDNRBEDNRAKMT2AMEN1POLB
SCHEMBL23978001 0.72 UHRF1 (0.39) CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230136562-A1 SPIROUREA DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2023-05-04 US disclosed
WO-2021219594-A1 SPIROUREA DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-11-04 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 (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-20230136562-A1 SPIROUREA DERIVATIVES KCNA7, PKD2, KCNN3 EDNRB 304/4885EDNRA 387/4885KMT2A 1711/4885

“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.