SCHEMBL18670632

SCHEMBL18670632

O=C(O)Nc1nc(F)nc2[nH]cnc12

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ PDPK1 O15530 2/20 0.33
▸ PARP1 P09874 1/20 0.32
▸ ACLY P53396 1/20 0.32
▸ GABRR1 P24046 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ THRB P10828 1/20 0.30
▸ BRD4 O60885 1/20 0.30
▸ EGLN1 Q9GZT9 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
SCHEMBL16146754 0.85 GDA (0.39) LMNAPDPK1ALDH1A1
SCHEMBL7670280 0.81 PARP1 (0.32) PARP1
SCHEMBL29593210 0.78 SYK (0.39) —
SCHEMBL22939319 0.78 SYK (0.39) —
SCHEMBL128574 0.77 PDPK1 (0.39) PDPK1PARP1
SCHEMBL20093457 0.77 PARP1 (0.32) PARP1
SCHEMBL22118770 0.76 BRD4 (0.40) PARP1BRD4
SCHEMBL29654971 0.76 BRD4 (0.40) PARP1BRD4
SCHEMBL16146540 0.74 CDK2 (0.43) LMNAPOLBPDPK1
SCHEMBL12186852 0.73 MAP4K4 (0.35) PDPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210154221-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS AND PREPARATIONS THEREOF MERCK SHARP & DOHME CORP. (US) 2021-05-27 — — US disclosed
US-10953029-B2 4′-Substituted nucleoside reverse transcriptase inhibitors and preparations thereof MERCK SHARP & DOHME CORP. (US) 2021-03-23 — — US disclosed
EP-3352781-B1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS AND PREPARATIONS THEREOF MERCK SHARP & DOHME (US) 2020-12-16 — — EP disclosed
US-20190022115-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS AND PREPARATIONS THEREOF MERCK SHARP & DOHME CORP. (US) 2019-01-24 — — US disclosed
EP-3352781-A2 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS AND PREPARATIONS THEREOF Merck Sharp & Dohme Corp. (US) 2018-08-01 — — EP disclosed
WO-2017053216-A2 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS AND PREPARATIONS THEREOF MERCK SHARP & DOHME CORP. (US) 2017-03-30 — — WO 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 (3 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-20210154221-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS AND PREPARATIONS THEREOF HPRT1, SAMHD1, DUT LMNA 2288/4885POLB 24/4885PDPK1 3687/4885
US-20190022115-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS AND PREPARATIONS THEREOF HPRT1, DUT, SAMHD1 LMNA 2165/4885POLB 24/4885PDPK1 3771/4885
US-10953029-B2 4′-Substituted nucleoside reverse transcriptase inhibitors and preparations thereof DUT, HPRT1, SAMHD1 LMNA 2109/4885POLB 23/4885PDPK1 3714/4885

“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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