SCHEMBL13301970

SCHEMBL13301970

C#C[C@@]1(O)[C@H](OC(=O)C(C)C)[C@@H](COC(=O)C(C)C)O[C@H]1n1cc(C(N)=O)c2c(N)ncnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 8/20 0.43
▸ NPC1 O15118 1/20 0.36
▸ GALR3 O60755 1/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ DOT1L Q8TEK3 3/20 0.34
▸ RET P07949 3/20 0.34
▸ LCK P06239 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CCNK O75909 1/20 0.33
▸ CDK7 P50613 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ CCNH P51946 1/20 0.33
▸ MNAT1 P51948 1/20 0.33

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
SCHEMBL29883888 1.00 ADK (0.43) ADKNPC1GALR3S1PR4ALDH1A1
SCHEMBL13301973 0.94 ADK (0.41) ADKNPC1GALR3S1PR4ALDH1A1
SCHEMBL25750665 0.91 ADK (0.41) ADKNPC1GALR3S1PR4ALDH1A1
SCHEMBL13301995 0.84 PRMT5 (0.44) ADKPRMT5DNMT1
SCHEMBL3230236 0.84 PRMT5 (0.44) ADKPRMT5DNMT1
SCHEMBL25750660 0.79 ADK (0.42) ADKNPC1GALR3S1PR4ALDH1A1
SCHEMBL3234392 0.79 ADK (0.50) ADKNPC1GALR3S1PR4ALDH1A1
SCHEMBL3234421 0.79 ADK (0.50) ADKNPC1GALR3S1PR4ALDH1A1
SCHEMBL13495010 0.79 ADK (0.50) ADKNPC1GALR3S1PR4ALDH1A1
SCHEMBL3229959 0.77 ADK (0.44) ADKNPC1GALR3S1PR4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230201239-A1 ALKYNYL NUCLEOSIDE ANALOGS FOR TREATMENT OF HEPATITIS E Janssen Pharmaceuticals, Inc. 2023-06-29 — — US disclosed
US-20230201239-A1 ALKYNYL NUCLEOSIDE ANALOGS FOR TREATMENT OF HEPATITIS E Janssen Pharmaceuticals, Inc. 2023-06-29 — — US disclosed
US-20100144655-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-06-10 — — US disclosed
US-20100144655-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-06-10 — — 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-20230201239-A1 ALKYNYL NUCLEOSIDE ANALOGS FOR TREATMENT OF HEPATITIS E HAVCR2, PNP, ENTPD5 ADK 160/4885NPC1 148/4885GALR3 4241/4885
US-20100144655-A1 ORGANIC COMPOUNDS OAT, MAVS, HAVCR2 ADK 3634/4885NPC1 88/4885GALR3 3128/4885

“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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