SCHEMBL21450119

SCHEMBL21450119

CO[C@H](C)n1cnc2c(NCc3ccccc3)nc(Cl)nc21

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 15/20 0.79
TDP1 Q9NUW8 3/20 0.61
KDM4E B2RXH2 1/20 0.61
NPC1 O15118 1/20 0.61
MAPT P10636 1/20 0.61
CDK5 Q00535 5/20 0.60
CDK2 P24941 7/20 0.55
CCNE2 O96020 3/20 0.55
CCNE1 P24864 3/20 0.55
CSNK1D P48730 1/20 0.54
CLK2 P49760 1/20 0.54
DYRK1A Q13627 1/20 0.54
HIPK4 Q8NE63 1/20 0.54
SRPK1 Q96SB4 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
CCNB1 P14635 6/20 0.54
CCNB2 O95067 2/20 0.54
CCNB3 Q8WWL7 2/20 0.54

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
SCHEMBL1400442 0.89 CDK1 (1.00) CDK1TDP1KDM4ENPC1MAPT
SCHEMBL17450180 0.87 TDP1 (0.61) CDK1TDP1KDM4ENPC1MAPT
SCHEMBL5196875 0.86 CDK1 (0.83) CDK1TDP1KDM4ENPC1MAPT
SCHEMBL17628615 0.84 CDK1 (0.87) CDK1TDP1KDM4ENPC1MAPT
SCHEMBL5192872 0.84 CDK1 (0.79) CDK1TDP1KDM4ENPC1MAPT
SCHEMBL1443236 0.80 TDP1 (0.80) CDK1TDP1CDK5CDK2CCNE2
SCHEMBL8010398 0.80 CDK1 (1.00) CDK1TDP1KDM4EMAPTCDK5
SCHEMBL6152647 0.79 CDK1 (0.82) CDK1TDP1KDM4ENPC1MAPT
SCHEMBL1443458 0.79 CDK1 (0.80) CDK1TDP1KDM4ENPC1MAPT
SCHEMBL3696802 0.78 CDK1 (0.75) CDK1TDP1KDM4ENPC1MAPT

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-10981944-B2 Modulators of 5′-nucleotidase, ecto and the use thereof ARCUS BIOSCIENCES, INC. (US) 2021-04-20 US disclosed
US-20190309010-A1 MODULATORS OF 5'-NUCLEOTIDASE, ECTO AND THE USE THEREOF ARCUS BIOSCIENCES, INC. 2019-10-10 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-10981944-B2 Modulators of 5′-nucleotidase, ecto and the use thereof ENTPD5, NT5C2, NT5E CDK1 3650/4885TDP1 196/4885KDM4E 2438/4885
US-20190309010-A1 MODULATORS OF 5'-NUCLEOTIDASE, ECTO AND THE USE THEREOF ENTPD5, NT5C2, NT5E CDK1 3655/4885TDP1 196/4885KDM4E 2414/4885

“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.