SCHEMBL20724608

SCHEMBL20724608

CN(C)c1nc(N)nc2c1ncn2[C@@H]1O[C@](CCl)(COP=O)[C@@H](O)[C@H]1F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.36
▸ HTR2C P28335 3/20 0.35
▸ HTR2B P41595 3/20 0.35
▸ TMIGD3 P0DMS9 2/20 0.35
▸ NT5E P21589 6/20 0.35
▸ HSP90B1 P14625 1/20 0.35
▸ SLC29A1 Q99808 4/20 0.34
▸ ADORA3 P0DMS8 2/20 0.34
▸ ADORA1 P30542 2/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ HINT1 P49773 1/20 0.34

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
SCHEMBL20724396 0.91 NT5E (0.40) NT5E
SCHEMBL19765997 0.88 TMIGD3 (0.41) CYP2C19HTR2CHTR2BTMIGD3HSP90B1
SCHEMBL20724397 0.87 P2RY1 (0.43) NT5E
SCHEMBL20724581 0.86 ADORA3 (0.50) NT5EADORA3ADORA1ADORA2A
SCHEMBL20724479 0.86 ADORA3 (0.50) NT5EADORA3ADORA1ADORA2A
SCHEMBL20724314 0.85 NT5E (0.35) CYP2C19NT5ESLC29A1ADORA3ADORA1
SCHEMBL20724437 0.85 NT5E (0.35) CYP2C19NT5ESLC29A1ADORA3ADORA1
SCHEMBL19766095 0.82 CYP2C19 (0.42) CYP2C19HTR2CHTR2BTMIGD3HSP90B1
SCHEMBL19766096 0.82 CYP2C19 (0.42) CYP2C19HTR2CHTR2BTMIGD3HSP90B1
SCHEMBL19765821 0.81 P2RY1 (0.39) HTR2CHTR2BNT5E

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-10202412-B2 β-D-2′-deoxy-2′-substituted-4′-substituted-2-substituted-N6-substituted-6-aminopurinenucleotides for the treatment of paramyxovirus and orthomyxovirus infections Atea Pharmaceuticals, Inc. (US) 2019-02-12 — — 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-10202412-B2 β-D-2′-deoxy-2′-substituted-4′-substituted-2-substituted-N6-substituted-6-aminopurinenucleotides for the treatment of paramyxovirus and orthomyxovirus infections MTAP, NSUN2, PNP CYP2C19 4552/4885HTR2C 2753/4885HTR2B 2298/4885

“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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