SCHEMBL19370192

SCHEMBL19370192

CCc1nc(NCc2ccccc2)c2ncn([C@H](O)[C@H](O)[C@@H](COP(=O)(O)CP(=O)(O)O)OC)c2n1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 14/20 0.58
▸ CDK1 P06493 6/20 0.47
▸ CCNB1 P14635 5/20 0.47
▸ CDK5 Q00535 1/20 0.44

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
SCHEMBL19370203 0.95 NT5E (0.52) NT5ECDK1CCNB1CDK5
SCHEMBL19370340 0.91 NT5E (0.48) NT5ECDK1CCNB1CDK5
SCHEMBL19370191 0.91 NT5E (0.57) NT5ECDK1CDK5
SCHEMBL22843544 0.89 NT5E (0.55) NT5ECDK1CCNB1CDK5
SCHEMBL24078875 0.89 NT5E (0.47) NT5ECDK1CDK5
SCHEMBL21450235 0.87 NT5E (0.54) NT5ECDK1CCNB1
SCHEMBL19370180 0.87 NT5E (0.58) NT5ECDK1CDK5
SCHEMBL19370237 0.87 NT5E (0.46) NT5ECDK1CCNB1CDK5
SCHEMBL24078902 0.87 NT5E (0.57) NT5ECDK1CDK5
SCHEMBL24078883 0.87 NT5E (0.45) NT5ECDK1CCNB1CDK5

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 3/4885CDK1 3655/4885CCNB1 4684/4885
US-10239912-B2 Modulators of 5′-nucleotidase, ecto and the use thereof ENTPD5, NT5C2, NT5E NT5E 3/4885CDK1 3650/4885CCNB1 4673/4885

“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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