SCHEMBL22579640

SCHEMBL22579640

OC[C@H]1O[C@@H](c2cnc3c(N4CC5CCCC5C4)nc(Cl)nn23)[C@@H](F)[C@@H]1O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.35
▸ ADORA3 P0DMS8 4/20 0.35
▸ ADORA1 P30542 4/20 0.35
▸ PDE2A O00408 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ ADORA2B P29275 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CD99 P14209 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ ADK P55263 1/20 0.31
▸ SLC5A2 P31639 1/20 0.30

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
SCHEMBL29394864 1.00 ADORA2A (0.35) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL28724229 1.00 ADORA2A (0.35) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL24557926 0.84 NT5E (0.50) —
SCHEMBL22579762 0.84 NT5E (0.50) —
SCHEMBL22579736 0.83 HCRTR1 (0.30) —
SCHEMBL22579643 0.83 NT5E (0.38) ADORA2AADORA3ADORA1
SCHEMBL29569034 0.80 NT5E (0.31) —
SCHEMBL22569915 0.79 ADORA3 (0.49) ADORA2AADORA3ADORA1ADORA2BMEN1
SCHEMBL22579737 0.77 PDE2A (0.45) PDE2A
SCHEMBL29397151 0.77 PDE2A (0.45) PDE2A

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-20220204539-A1 CD73 INHIBITORS BIOARDIS LLC 2022-06-30 — — US disclosed
WO-2020211672-A1 CD73 INHIBITORS BIOARDIS LLC (US) 2020-10-22 — — 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-20220204539-A1 CD73 INHIBITORS ENTPD5, ENTPD1, ENTPD2 ADORA2A 21/4885ADORA3 48/4885ADORA1 71/4885

“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.

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