SCHEMBL24500179

SCHEMBL24500179

CC(C)n1ncc2c(N)nc(Cl)nc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ PDE1C Q14123 2/20 0.40
▸ PDE9A O76083 11/20 0.40
▸ CDK1 P06493 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ PDE2A O00408 1/20 0.37
▸ NT5E P21589 2/20 0.35
▸ PI4KA P42356 1/20 0.34
▸ PI4K2B Q8TCG2 1/20 0.34
▸ PI4K2A Q9BTU6 1/20 0.34
▸ PI4KB Q9UBF8 1/20 0.34

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
SCHEMBL29399563 0.83 CDK1 (0.44) KDM4EPDE1CPDE9ACDK1KMT2A
SCHEMBL21459294 0.83 CDK1 (0.44) KDM4EPDE1CPDE9ACDK1KMT2A
SCHEMBL2357706 0.83 KDM4E (0.43) KDM4EPDE1CPDE9AKMT2APDE2A
SCHEMBL24500614 0.81 KDM4E (0.42) KDM4EPDE1CPDE9AKMT2API4KA
SCHEMBL30095729 0.81 KDM4E (0.42) KDM4EPDE1CPDE9AKMT2APDE2A
SCHEMBL29175001 0.81 KDM4E (0.42) KDM4EPDE1CPDE9AKMT2APDE2A
SCHEMBL30095905 0.80 KDM4E (0.44) KDM4EPDE1CPDE9AKMT2APDE2A
SCHEMBL30095889 0.80 KDM4E (0.44) KDM4EPDE1CPDE9AKMT2APDE2A
SCHEMBL29174857 0.80 KDM4E (0.44) KDM4EPDE1CPDE9AKMT2APDE2A
SCHEMBL29174869 0.80 KDM4E (0.44) KDM4EPDE1CPDE9AKMT2APDE2A

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-20220177510-A1 DERIVATIVES OF GYLCERO-MANNO-HEPTOSE ADP FOR USE IN MODULATING IMMUNE RESPONSE SHANGHAI YAO YUAN BIOTECHNOLOGY CO LTD (CN) 2022-06-09 — — 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-20220177510-A1 DERIVATIVES OF GYLCERO-MANNO-HEPTOSE ADP FOR USE IN MODULATING IMMUNE RESPONSE GALK1, PHKA1, PGK1 KDM4E 3561/4885PDE1C 1949/4885PDE9A 2061/4885

“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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