SCHEMBL3660264

SCHEMBL3660264

Nc1nc(F)nc2c1ncn2[C@@H]1O[C@](C(=O)c2ccccc2)(C(OC(=O)c2ccccc2)(C(=O)c2ccccc2)C(=O)c2ccccc2)[C@](O)(C(=O)c2ccccc2)[C@H]1O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 6/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ ADORA3 P0DMS8 5/20 0.40
▸ ADORA2A P29274 4/20 0.40
▸ ADORA1 P30542 4/20 0.40
▸ CA5A P35218 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ DNMT1 P26358 1/20 0.38
▸ DNMT3B Q9UBC3 1/20 0.38
▸ HINT1 P49773 1/20 0.37
▸ AHCY P23526 3/20 0.36
▸ P2RY11 Q96G91 1/20 0.36

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
SCHEMBL4394104 0.89 AHCY (0.43) NT5EHIF1AADORA3ADORA1AHCY
SCHEMBL3661441 0.88 ADORA3 (0.44) NT5EADORA3ADORA2AADORA1ADORA2B
SCHEMBL28657282 0.73 NT5E (0.57) NT5ELMNAHIF1AADORA3ADORA2A
SCHEMBL3365589 0.72 PRMT5 (0.46) NT5EHIF1AADORA3ADORA2AADORA1
SCHEMBL5038453 0.72 AHCY (0.44) NT5EHIF1AADORA1AHCY
SCHEMBL5040710 0.71 ADORA3 (0.45) NT5EADORA3ADORA2AADORA1ADORA2B
SCHEMBL24980458 0.70 CA5A (0.67) NT5ELMNAHIF1AADORA3ADORA2A
SCHEMBL13769822 0.69 P2RY11 (0.50) NT5ELMNAHIF1AADORA3ADORA2A
SCHEMBL8925141 0.68 PDE2A (0.59) NT5ELMNAHIF1ACA5AHINT1
SCHEMBL8925127 0.68 PDE2A (0.59) NT5ELMNAHIF1ACA5AHINT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11298432-B2 Method for preparing a marked purine derivative, said derivative and uses thereof COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2022-04-12 — — US disclosed
EP-2238139-B1 METHOD FOR PREPARING A MARKED PURINE DERIVATIVE, SAID DERIVATIVE AND USES THEREOF COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-09-27 — — EP disclosed
US-20150238640-A1 METHOD FOR PREPARING A MARKED PURINE DERIVATIVE, SAID DERIVATIVE AND USES THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-08-27 — — US disclosed
US-20100290990-A1 METHOD FOR PREPARING A MARKED PURINE DERIVATIVE, SAID DERIVATIVE AND USES THEREOF BARRE LOUISA 2010-11-18 — — US disclosed
EP-2238139-A2 METHOD FOR PREPARING A MARKED PURINE DERIVATIVE, SAID DERIVATIVE AND USES THEREOF Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2010-10-13 — — EP disclosed
WO-2009087066-A2 METHOD FOR PREPARING A MARKED PURINE DERIVATIVE, SAID DERIVATIVE AND USES THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2009-07-16 — — 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 (3 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-11298432-B2 Method for preparing a marked purine derivative, said derivative and uses thereof TPMT, NUDT1, DUT NT5E 19/4885LMNA 3403/4885HIF1A 2007/4885
US-20150238640-A1 METHOD FOR PREPARING A MARKED PURINE DERIVATIVE, SAID DERIVATIVE AND USES THEREOF TPMT, NUDT1, DUT NT5E 19/4885LMNA 3403/4885HIF1A 2007/4885
US-20100290990-A1 METHOD FOR PREPARING A MARKED PURINE DERIVATIVE, SAID DERIVATIVE AND USES THEREOF TPMT, NUDT1, DUT NT5E 19/4885LMNA 3403/4885HIF1A 2007/4885

“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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