SCHEMBL16458645

SCHEMBL16458645

Nc1nc(N)n(-c2cc(Cl)cc(Cl)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ATM Q13315 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
SCHEMBL15556408 0.88 LMNA (0.33) ALDH1A1LMNARECQL
SCHEMBL17363936 0.84 MAPT (0.32) LMNAADORA2AADORA1MAPTKMT2A
SCHEMBL15555065 0.84 ADORA2A (0.39) ALDH1A1ADORA2AADORA1MAPTMEN1
SCHEMBL15556257 0.82 NOTUM (0.35) ALDH1A1LMNAPOLBMAPTMEN1
SCHEMBL7092394 0.82 NPC1 (0.47) ALDH1A1LMNANPSR1MAPTMEN1
SCHEMBL15557472 0.81 DHFR (0.31) ALDH1A1LMNAPOLBMAPTMEN1
SCHEMBL17393915 0.80 ALDH1A1 (0.40) ALDH1A1LMNATP53CYP3A4NPSR1
SCHEMBL15969244 0.80 LMNA (0.39) ALDH1A1LMNACYP3A4NPSR1MAPT
SCHEMBL15555571 0.79 KDM4E (0.30) ALDH1A1LMNAPOLBMAPTMEN1
SCHEMBL16458325 0.79 POLB (0.33) ALDH1A1LMNAPOLBADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104428289-B As the triazole compounds of antivirotic 弗·哈夫曼-拉罗切有限公司 2017-06-23 — — CN claimed
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
CN-104428289-A Triazole compounds as antivirals HOFFMANN LA ROCHE 2015-03-18 — — CN claimed
US-20140010783-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2014-01-09 — — US claimed
CN-104428289-B As the triazole compounds of antivirotic 弗·哈夫曼-拉罗切有限公司 2017-06-23 — — CN disclosed
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
CN-104428289-A Triazole compounds as antivirals HOFFMANN LA ROCHE 2015-03-18 — — CN 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 ALDH1A1 222/4885LMNA 3929/4885TP53 2824/4885
US-20140010783-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ALDH1A1 222/4885LMNA 3929/4885TP53 2824/4885

“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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