SCHEMBL23111940

SCHEMBL23111940

C=C(COC(=C)C)COc1nc(C)nc(N)n1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 2/20 0.32
▸ CCNB1 P14635 2/20 0.32
▸ MGMT P16455 2/20 0.32
▸ CCNA2 P20248 2/20 0.32
▸ CDK2 P24941 2/20 0.32
▸ CCNA1 P78396 2/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.30

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
SCHEMBL23037265 0.71 CDK1 (0.47) CDK1CCNB1MGMTCCNA2CDK2
SCHEMBL23113063 0.70 CDK1 (0.35) CDK1CCNB1MGMTCCNA2CDK2
SCHEMBL1131137 0.69 HSP90AA1 (0.44) NPC1RAB9ALMNAHSP90AA1
SCHEMBL24728017 0.67 MAPT (0.41) CDK1CCNB1MGMTCCNA2CDK2
SCHEMBL10865363 0.66 HSP90AA1 (0.41) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL9599405 0.65 TSHR (0.39) NPC1RAB9ALMNAHSP90AA1
SCHEMBL24727871 0.65 LMNA (0.38) LMNAHSP90AA1
SCHEMBL3132522 0.65 HSP90AB1 (0.41) NPC1RAB9ALMNAHSP90AA1
SCHEMBL441545 0.62 HSP90AB1 (0.43) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL30562916 0.62 HSP90AB1 (0.43) CCNA2CDK2CCNA1NPC1RAB9A

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-20210079031-A1 NEW ANTIVIRAL ACYCLONUCLEOSIDE ANALOGUES NEOVIRTECH (FR) 2021-03-18 — — 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-20210079031-A1 NEW ANTIVIRAL ACYCLONUCLEOSIDE ANALOGUES TYMP, EIF2AK2, PNP CDK1 256/4885CCNB1 485/4885MGMT 1660/4885

“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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