SCHEMBL16458263

SCHEMBL16458263

Nc1nc(N)n(-c2cccc(S(=O)(=O)C(F)(F)F)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ NR1H2 P55055 2/20 0.39
▸ NR1H3 Q13133 2/20 0.39
▸ CA1 P00915 3/20 0.37
▸ CA2 P00918 3/20 0.37
▸ CA9 Q16790 3/20 0.37
▸ LMNA P02545 4/20 0.36
▸ KLKB1 P03952 2/20 0.35
▸ HRH4 Q9H3N8 4/20 0.35
▸ POLB P06746 1/20 0.35
▸ HTT P42858 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34

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
SCHEMBL15556958 0.83 LMNA (0.46) GLAALDH1A1CA1CA2CA9
SCHEMBL15555952 0.82 JAK2 (0.48) GLANR1H2NR1H3CA1CA2
SCHEMBL16458767 0.77 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4598386 0.76 GRN (0.43) ALDH1A1NR1H2NR1H3CA1CA2
SCHEMBL15555708 0.76 PTGS2 (0.34) ALDH1A1CA1CA2CA9MAPT
Hydrochloric Acid SCHEMBL3177847 0.75 GRN (0.42) ALDH1A1NR1H2NR1H3CA1CA2
SCHEMBL15556038 0.73 DHFR (0.49) LMNASMN1; SMN2MAPTMAPK1RECQL
SCHEMBL7092394 0.73 NPC1 (0.47) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL15556788 0.72 KLKB1 (0.39) GLAALDH1A1KLKB1HTTSMN1; SMN2
SCHEMBL17394133 0.72 KIF11 (0.35) ALDH1A1

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
EP-2870143-B1 TRIAZOLE COMPOUNDS AS ANTIVIRALS HOFFMANN LA ROCHE (CH) 2017-05-17 — — EP claimed
US-20150307461-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-10-29 — — US claimed
US-20140010783-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2014-01-09 — — US claimed
EP-2870143-B1 TRIAZOLE COMPOUNDS AS ANTIVIRALS HOFFMANN LA ROCHE (CH) 2017-05-17 — — EP disclosed
US-20150307461-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-10-29 — — US disclosed
US-20140010783-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2014-01-09 — — 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-20150307461-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS GLA 2224/4885ALDH1A1 222/4885NR1H2 315/4885
US-20140010783-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS GLA 2224/4885ALDH1A1 222/4885NR1H2 315/4885

“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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