SCHEMBL17131307

SCHEMBL17131307

CC[C@H]1O[C@@H](n2ccc3c(N)nc(Cl)nc32)C[C@@H]1C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 2/20 0.42
▸ PDE3A Q14432 2/20 0.42
▸ PNP P00491 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ NT5E P21589 3/20 0.38
▸ METTL3 Q86U44 4/20 0.34
▸ ADORA3 P0DMS8 5/20 0.33
▸ PRMT5 O14744 2/20 0.33
▸ ADORA2A P29274 2/20 0.32
▸ ADK P55263 1/20 0.31
▸ PDE2A O00408 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ ADRA1A P35348 1/20 0.31

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
SCHEMBL17131306 0.90 PDE4D (0.51) PDE4DPDE3APNPLMNATP53
SCHEMBL17131333 0.88 METTL3 (0.35) PDE4DPDE3APNPLMNATP53
SCHEMBL19412420 0.86 AHCY (0.34) LMNANT5EMETTL3ADORA3PRMT5
SCHEMBL17131288 0.81 ADK (0.49) METTL3PRMT5ADK
SCHEMBL17131313 0.81 NT5E (0.37) PDE4DPDE3APNPLMNATP53
SCHEMBL17106676 0.80 PNP (0.66) PDE4DPDE3APNPLMNATP53
SCHEMBL11949484 0.80 PDE4D (0.66) PDE4DPDE3APNPLMNATP53
SCHEMBL21423109 0.80 PNP (0.66) PDE4DPDE3APNPLMNATP53
SCHEMBL21423110 0.80 PNP (0.66) PDE4DPDE3APNPLMNATP53
SCHEMBL11949480 0.80 PDE4D (0.66) PDE4DPDE3APNPLMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180002366-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-01-04 — — US disclosed
US-9777035-B2 4′-substituted nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-10-03 — — US disclosed
US-20150274767-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-01 — — 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-20180002366-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS DUT, HPRT1, RNGTT PDE4D 945/4885PDE3A 779/4885PNP 5/4885
US-20150274767-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS DUT, HPRT1, RNGTT PDE4D 945/4885PDE3A 779/4885PNP 5/4885

“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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