SCHEMBL22843617

SCHEMBL22843617

C=Cc1nc(NCc2ccccc2)c2ncn([C@H](O)[C@H](O)[C@H](O)/C(=C\C)COP(=O)(O)CP(=O)(O)O)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ CDK1 P06493 13/20 0.46
▸ CCNB1 P14635 5/20 0.46
▸ CDK2 P24941 7/20 0.46
▸ CDK5 Q00535 6/20 0.45
▸ NT5E P21589 5/20 0.45
▸ CDK7 P50613 5/20 0.44
▸ CDK4 P11802 4/20 0.44
▸ CCND1 P24385 4/20 0.44
▸ CCNE1 P24864 4/20 0.44
▸ CCNH P51946 4/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ CSNK1D P48730 1/20 0.44
▸ CLK2 P49760 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ HIPK4 Q8NE63 1/20 0.44
▸ SRPK1 Q96SB4 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
SCHEMBL22843693 0.91 NT5E (0.55) KDM4ENPC1MAPTTDP1CDK1
SCHEMBL22843632 0.91 NT5E (0.54) KDM4ENPC1MAPTTDP1CDK1
SCHEMBL22843469 0.90 NT5E (0.47) KDM4ENPC1MAPTTDP1CDK1
SCHEMBL22843642 0.90 CDK1 (0.56) KDM4ENPC1MAPTTDP1CDK1
SCHEMBL22843638 0.89 NT5E (0.55) KDM4ENPC1MAPTTDP1CDK1
SCHEMBL22843544 0.89 NT5E (0.55) KDM4ENPC1MAPTTDP1CDK1
SCHEMBL22843701 0.89 CDK1 (0.46) KDM4ENPC1MAPTTDP1CDK1
SCHEMBL22843654 0.89 CDK1 (0.52) KDM4ENPC1MAPTTDP1CDK1
SCHEMBL22843672 0.88 CDK1 (0.44) KDM4ENPC1MAPTTDP1CDK1
SCHEMBL22843545 0.88 CDK1 (0.54) NPC1CDK1CCNB1CDK2CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200405629-A1 PARENTERALLY ADMINISTERED IMMUNE ENHANCING DRUGS ARCUS BIOSCIENCES, INC. 2020-12-31 — — 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 (1 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-20200405629-A1 PARENTERALLY ADMINISTERED IMMUNE ENHANCING DRUGS NT5C2, ADA, ENTPD1 KDM4E 3519/4885NPC1 1165/4885MAPT 4457/4885

“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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