SCHEMBL23573405

SCHEMBL23573405

O=c1c(Cl)c(N2C[CH]CC2)cnn1CCO

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 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
SCHEMBL23573415 0.92 RAB9A (0.45) RAB9AGAAMEN1NPC1KMT2A
SCHEMBL23573420 0.87 RAB9A (0.44) RAB9AGAAMEN1NPC1KMT2A
SCHEMBL23573513 0.84 GAA (0.44) RAB9AGAALMNAPOLBPKM
SCHEMBL23573401 0.83 RAB9A (0.44) RAB9AGAAMEN1NPC1KMT2A
SCHEMBL23573498 0.82 RAB9A (0.54) RAB9AGAAMEN1NPC1KMT2A
SCHEMBL23573282 0.81 RAB9A (0.47) RAB9AGAAMEN1NPC1KMT2A
SCHEMBL23573483 0.81 MEN1 (0.33) RAB9AGAAMEN1KMT2A
SCHEMBL23573372 0.80 RAB9A (0.52) RAB9AGAAMEN1NPC1KMT2A
SCHEMBL23573211 0.79 ALDH1A1 (0.50) RAB9AGAANPC1PKM
SCHEMBL23573225 0.78 RAB9A (0.42) RAB9AGAAMEN1NPC1KMT2A

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-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2021-07-01 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-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR ENTPD5, ADORA2A, ENTPD1 RAB9A 2930/4885GAA 546/4885MEN1 1145/4885

“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.