SCHEMBL16786407

SCHEMBL16786407

[2H]C([2H])(O)CCn1c(Cn2nc(S(C)(=O)=O)c3ccncc32)nc2cc(Cl)ccc21

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.37
BACE1 P56817 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL15415632 0.93 BACE1 (0.44) NUDT1BACE1KMT2AMEN1
SCHEMBL15415773 0.92 NUDT1 (0.41) NUDT1BACE1KMT2AMEN1
SCHEMBL15428321 0.91 KMT2A (0.45) NUDT1BACE1KMT2A
SCHEMBL15416302 0.91 MEN1 (0.42) KMT2AMEN1
SCHEMBL15415359 0.90
SCHEMBL15416116 0.89 KDM4C (0.39) KMT2AMEN1
SCHEMBL15416230 0.89 KMT2A (0.34) KMT2AMEN1
SCHEMBL15416207 0.88 TBXA2R (0.36) NUDT1BACE1KMT2AMEN1
SCHEMBL15415471 0.87 KDM4C (0.38) KMT2AMEN1
SCHEMBL15416035 0.87 KMT2A (0.37) NUDT1BACE1KMT2A

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-20160200741-A1 Novel indazoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN-LA ROCHE INC. (US) 2016-07-14 US disclosed
US-9206191-B2 Indazoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN-LA ROCHE INC. (US) 2015-12-08 US disclosed
US-20150158879-A1 Novel indazoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN-LA ROCHE INC. (US) 2015-06-11 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-20150158879-A1 Novel indazoles for the treatment and prophylaxis of respiratory syncytial virus infection ADORA3, ADORA1, BRS3 NUDT1 2880/4885BACE1 2264/4885KMT2A 2954/4885
US-20160200741-A1 Novel indazoles for the treatment and prophylaxis of respiratory syncytial virus infection ADORA3, ADORA1, BRS3 NUDT1 2880/4885BACE1 2264/4885KMT2A 2954/4885

“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.