SCHEMBL577896

SCHEMBL577896

c1cn(CCOc2ccc3c(c2)C[N]C3)cn1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ TBXAS1 P24557 7/20 0.57
▸ NOS1 P29475 1/20 0.54
▸ LTA4H P09960 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ CYP19A1 P11511 1/20 0.53
▸ PDE3B Q13370 1/20 0.53
▸ PDE3A Q14432 1/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ KMT2A Q03164 1/20 0.52

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
SCHEMBL330239 0.83 KDM4E (0.57) KDM4EALDH1A1MAPK1TBXAS1NOS1
SCHEMBL6174346 0.77 HRH3 (0.60) KDM4EALDH1A1MAPK1TBXAS1NOS1
SCHEMBL10604889 0.77 HRH3 (0.60) KDM4EALDH1A1MAPK1TBXAS1NOS1
SCHEMBL8685441 0.76 TBXAS1 (0.70) KDM4EALDH1A1MAPK1TBXAS1NOS1
SCHEMBL586181 0.76 TSHR (0.45) KDM4EALDH1A1LMNA
SCHEMBL6172429 0.75 HRH3 (0.55) KDM4EALDH1A1MAPK1TBXAS1HTT
SCHEMBL76839 0.74 KDM4E (0.72) KDM4EALDH1A1MAPK1TBXAS1NOS1
SCHEMBL8684965 0.74 MAPK1 (1.00) KDM4EALDH1A1MAPK1TBXAS1NOS1
SCHEMBL8690248 0.74 KMT2A (0.83) KDM4EALDH1A1MAPK1TBXAS1NOS1
SCHEMBL305632 0.74 ALDH1A1 (0.72) KDM4EALDH1A1MAPK1TBXAS1NOS1

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
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 — — US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 — — US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 — — US disclosed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 — — US disclosed
EP-2461811-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX Pharmaceuticals, Inc. (US) 2012-06-13 — — EP disclosed
EP-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 — — EP disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 — — US disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 — — WO disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 — — WO disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 — — 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 (3 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-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 KDM4E 3609/4885ALDH1A1 1913/4885MAPK1 2401/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 KDM4E 3609/4885ALDH1A1 1913/4885MAPK1 2401/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 KDM4E 3609/4885ALDH1A1 1913/4885MAPK1 2401/4885

“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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