SCHEMBL19370200

SCHEMBL19370200

CO[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H](O)n1ncc2c(N(C)Cc3ccccc3)nc(Cl)nc21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 16/20 0.47
▸ PDE9A O76083 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL22866561 0.91 NT5E (0.49) NT5E
SCHEMBL22843483 0.88 NT5E (0.45) NT5EPDE9ALMNATP53KDM4E
SCHEMBL22866601 0.80 NT5E (0.60) NT5E
SCHEMBL22843590 0.79 NT5E (0.48) NT5EPDE9A
SCHEMBL21450367 0.78 NT5E (0.48) NT5E
SCHEMBL21450299 0.78 NT5E (0.49) NT5EPDE9A
SCHEMBL24078892 0.75 NT5E (0.57) NT5E
SCHEMBL22866579 0.75 NT5E (0.52) NT5EPDE9ALMNATP53
SCHEMBL22866535 0.75 NT5E (0.52) NT5EPDE9ALMNATP53
SCHEMBL22843585 0.74 NT5E (0.40) NT5E

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-10239912-B2 Modulators of 5′-nucleotidase, ecto and the use thereof ARCUS BIOSCIENCES, INC. (US) 2019-03-26 — — US disclosed
US-20170267710-A1 MODULATORS OF 5'-NUCLEOTIDASE, ECTO AND THE USE THEREOF ARCUS BIOSCIENCES, INC. 2017-09-21 — — 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 (2 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-20170267710-A1 MODULATORS OF 5'-NUCLEOTIDASE, ECTO AND THE USE THEREOF ENTPD5, NT5C2, NT5E NT5E 3/4885PDE9A 268/4885LMNA 2286/4885
US-10239912-B2 Modulators of 5′-nucleotidase, ecto and the use thereof ENTPD5, NT5C2, NT5E NT5E 3/4885PDE9A 276/4885LMNA 2274/4885

“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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