SCHEMBL19370191

SCHEMBL19370191

CO[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H](O)n1cnc2c(NCc3ccccc3)nc(C)nc21

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 16/20 0.57
▸ CDK1 P06493 3/20 0.45
▸ CDK5 Q00535 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CDK2 P24941 1/20 0.43

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
SCHEMBL19370192 0.91 NT5E (0.58) NT5ECDK1CDK5
SCHEMBL19370203 0.90 NT5E (0.52) NT5ECDK1CDK5
SCHEMBL24078875 0.90 NT5E (0.47) NT5ECDK1CDK5CDK2
SCHEMBL21450235 0.89 NT5E (0.54) NT5ECDK1CDK2
SCHEMBL19370180 0.89 NT5E (0.58) NT5ECDK1CDK5CDK2
SCHEMBL19370237 0.89 NT5E (0.46) NT5ECDK1CDK5KDM4ENPC1
SCHEMBL22843632 0.88 NT5E (0.54) NT5ECDK1CDK5KDM4ENPC1
SCHEMBL24078883 0.88 NT5E (0.45) NT5ECDK1CDK5KDM4ENPC1
SCHEMBL24078902 0.88 NT5E (0.57) NT5ECDK1CDK5CDK2
SCHEMBL19370340 0.88 NT5E (0.48) NT5ECDK1CDK5KDM4ENPC1

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 3655/4885CDK5 1450/4885
US-10239912-B2 Modulators of 5′-nucleotidase, ecto and the use thereof ENTPD5, NT5C2, NT5E NT5E 3/4885CDK1 3650/4885CDK5 1552/4885

“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.

Send feedback