SCHEMBL9200558

SCHEMBL9200558

Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NT5E P21589 15/20 1.00
PLCG1 P19174 1/20 0.75
ENPP1 P22413 1/20 0.75
P2RY1 P47900 4/20 0.75
P2RY11 Q96G91 2/20 0.75

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
SCHEMBL30563042 0.92 NT5E (1.00) NT5E
SCHEMBL19100957 0.92 NT5E (1.00) NT5E
SCHEMBL25363268 0.91 NT5E (0.86) NT5E
SCHEMBL26030648 0.91 NT5E (0.86) NT5E
SCHEMBL8423402 0.91 P2RY1 (0.83) NT5EP2RY1P2RY11
SCHEMBL8423419 0.91 P2RY1 (0.83) NT5EP2RY1P2RY11
SCHEMBL10120960 0.91 P2RY1 (0.83) NT5EP2RY1P2RY11
SCHEMBL19366734 0.89 NT5E (1.00) NT5EPLCG1ENPP1P2RY1
SCHEMBL19100539 0.89 NT5E (1.00) NT5EPLCG1ENPP1P2RY1
SCHEMBL26031925 0.89 NT5E (0.84) NT5EPLCG1ENPP1P2RY1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11667662-B2 Modulators of 5′-nucleotidase, ecto and the use thereof ARCUS BIOSCIENCES, INC. (US) 2023-06-06 US disclosed
US-20190309010-A1 MODULATORS OF 5'-NUCLEOTIDASE, ECTO AND THE USE THEREOF ARCUS BIOSCIENCES, INC. 2019-10-10 US disclosed
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
EP-0508687-B1 ATP analogues FISONS PLC (GB) 1995-09-13 EP 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 (4 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 3/4885PLCG1 309/4885ENPP1 5/4885
US-20190309010-A1 MODULATORS OF 5'-NUCLEOTIDASE, ECTO AND THE USE THEREOF ENTPD5, NT5C2, NT5E NT5E 3/4885PLCG1 309/4885ENPP1 5/4885
US-11667662-B2 Modulators of 5′-nucleotidase, ecto and the use thereof ENTPD5, NT5C2, NT5E NT5E 3/4885PLCG1 309/4885ENPP1 5/4885
US-10239912-B2 Modulators of 5′-nucleotidase, ecto and the use thereof ENTPD5, NT5C2, NT5E NT5E 3/4885PLCG1 309/4885ENPP1 5/4885

“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.