SCHEMBL23573211

SCHEMBL23573211

Cn1ncc(N2C[CH]CC2)c(Cl)c1=O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
PKM P14618 2/20 0.50
NPC1 O15118 1/20 0.50
KAT2B Q92831 11/20 0.44
BRD9 Q9H8M2 2/20 0.44
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.40
BPTF Q12830 3/20 0.40
BRD4 O60885 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL2550526 0.81 ALDH1A1 (0.58) ALDH1A1PKMNPC1KAT2BBRD9
SCHEMBL2547161 0.80 ALDH1A1 (0.60) ALDH1A1PKMNPC1KAT2BBRD9
SCHEMBL2549761 0.80 RAB9A (0.59) ALDH1A1PKMNPC1KAT2BBRD9
SCHEMBL23573420 0.79 RAB9A (0.44) PKMNPC1RAB9AGAA
SCHEMBL23573405 0.79 RAB9A (0.47) PKMNPC1RAB9AGAA
SCHEMBL23573513 0.79 GAA (0.44) PKMRAB9AGAA
SCHEMBL20831802 0.78 ALDH1A1 (0.56) ALDH1A1PKMNPC1KAT2BBRD9
SCHEMBL23573415 0.77 RAB9A (0.45) NPC1RAB9AGAA
SCHEMBL9124077 0.77 PKM (0.54) ALDH1A1PKMNPC1KAT2BBRD9
SCHEMBL23573282 0.76 RAB9A (0.47) ALDH1A1PKMNPC1RAB9AGAA

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 ALDH1A1 216/4885PKM 2686/4885NPC1 1512/4885

“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.