SCHEMBL585694

SCHEMBL585694

O=C1[N]N=CC(c2ccccc2)=C1c1ccsc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 4/20 0.46
▸ CYP2B6 P20813 3/20 0.46
▸ CYP2E1 P05181 2/20 0.46
▸ GLO1 Q04760 1/20 0.38
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ FYN P06241 2/20 0.35
▸ PDGFRA P16234 2/20 0.35
▸ PTPRC P08575 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ ADORA1 P30542 2/20 0.34
▸ ADORA2A P29274 2/20 0.34
▸ MAPKAPK2 P49137 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ CSNK1G1 Q9HCP0 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ ATR Q13535 1/20 0.32

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
SCHEMBL585564 0.91 CYP2A6 (0.35) CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9
SCHEMBL585960 0.84 PDE4B (0.35) —
SCHEMBL586256 0.72 CYP2A6 (0.33) CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9
SCHEMBL585442 0.70 PRKDC (0.35) FYN
SCHEMBL586381 0.68 BACE1 (0.32) MAOB
SCHEMBL585900 0.68 GAA (0.31) —
SCHEMBL149952 0.66 CYP2A6 (1.00) CYP2A6CYP2B6CYP2E1GLO1CYP3A4
SCHEMBL8849472 0.64 PTPRC (0.61) CYP2A6CYP2B6CYP2E1GLO1PTPRC
SCHEMBL24106775 0.64 CYP2A6 (0.95) CYP2A6CYP2B6CYP2E1GLO1CYP3A4
SCHEMBL7566974 0.62 PTGS2 (0.54) CYP2A6CYP2B6CYP2E1GLO1CYP3A4

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 CYP2A6 1199/4885CYP2B6 850/4885CYP2E1 436/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 CYP2A6 1199/4885CYP2B6 850/4885CYP2E1 436/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 CYP2A6 1199/4885CYP2B6 850/4885CYP2E1 436/4885

“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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