SCHEMBL22843535

SCHEMBL22843535

C/C=C(/COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H](O)n1cnc2c(=O)n(Cc3ccccc3)cnc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE1A P54750 2/20 0.35
▸ PDE1B Q01064 2/20 0.35
▸ PDE1C Q14123 2/20 0.35
▸ PDE2A O00408 1/20 0.35
▸ TYMP P19971 1/20 0.34
▸ NT5E P21589 7/20 0.34
▸ HPGD P15428 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ENPP1 P22413 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ GRM1 Q13255 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MMP13 P45452 1/20 0.33

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
SCHEMBL22843545 0.81 CDK1 (0.54) NT5EHPGDSMN1; SMN2RAB9A
SCHEMBL22843642 0.79 CDK1 (0.56) NT5E
SCHEMBL22843632 0.78 NT5E (0.54) NT5EMAPK1
SCHEMBL22843693 0.77 NT5E (0.55) NT5EMAPK1
SCHEMBL22843638 0.77 NT5E (0.55) NT5EMAPK1
SCHEMBL22843495 0.77 CDK2 (0.49) NT5ERAB9A
SCHEMBL22843544 0.77 NT5E (0.55) NT5EMAPK1
SCHEMBL22843617 0.77 KDM4E (0.46) NT5EMAPK1
SCHEMBL22843701 0.77 CDK1 (0.46) NT5E
SCHEMBL22843654 0.77 CDK1 (0.52) NT5EMAPK1

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-20200405629-A1 PARENTERALLY ADMINISTERED IMMUNE ENHANCING DRUGS ARCUS BIOSCIENCES, INC. 2020-12-31 — — 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-20200405629-A1 PARENTERALLY ADMINISTERED IMMUNE ENHANCING DRUGS NT5C2, ADA, ENTPD1 PDE1A 693/4885PDE1B 735/4885PDE1C 1184/4885

“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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