SCHEMBL19397142

SCHEMBL19397142

CC#C[C@]1(OC(=O)c2ccccc2)[C@H](n2ccc3c(NC(=O)c4ccccc4)ncnc32)O[C@](F)(CC)[C@H]1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.34
▸ ADK P55263 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ P2RY6 Q15077 1/20 0.32
▸ P2RY14 Q15391 1/20 0.32
▸ RET P07949 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ PDE4B Q07343 1/20 0.31
▸ PRMT5 O14744 2/20 0.31
▸ WDR77 Q9BQA1 2/20 0.31
▸ POLB P06746 2/20 0.31
▸ AURKA O14965 1/20 0.31
▸ AURKB Q96GD4 1/20 0.31
▸ LMNA P02545 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
SCHEMBL19385329 0.87 POLB (0.33) HTTADKRETKDRPRMT5
SCHEMBL19379647 0.87 POLB (0.33) HTTADKRETKDRPRMT5
SCHEMBL19397143 0.81 LMNA (0.38) LMNA
SCHEMBL19397144 0.78 ADK (0.38) ADKRETKDRPRMT5WDR77
SCHEMBL19379658 0.78 ADK (0.38) ADKRETKDRPRMT5WDR77
SCHEMBL30745131 0.78 ADK (0.38) ADKRETKDRPRMT5WDR77
SCHEMBL19379655 0.75 HTT (0.31) HTT
SCHEMBL19379669 0.75 HTT (0.31) HTT
SCHEMBL19379663 0.74 LMNA (0.37) LMNA
SCHEMBL15960605 0.74 ADK (0.39) ADKRETKDRPRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988416-B2 Alkynyl nucleoside analogs as inhibitors of human rhinovirus NOVARTIS AG (CH) 2018-06-05 — — US disclosed
US-20170275329-A1 ALKYNYL NUCLEOSIDE ANALOGS AS INHIBITORS OF HUMAN RHINOVIRUS NOVARTIS INSTITUTE FOR TROPICAL DISEASES PTE LTD (SG) 2017-09-28 — — 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-20170275329-A1 ALKYNYL NUCLEOSIDE ANALOGS AS INHIBITORS OF HUMAN RHINOVIRUS RNASEH1, ENTPD5, SARNP HTT 1466/4885ADK 578/4885SMN1; SMN2 1386/4885

“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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