SCHEMBL585960

SCHEMBL585960

O=C1[N]N=CC(c2ccccc2)=C1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.35
KMT2A Q03164 1/20 0.34
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
P2RX7 Q99572 1/20 0.32
ALDH1A1 P00352 3/20 0.32
FGFR1 P11362 2/20 0.32
FGFR2 P21802 2/20 0.32
FGFR4 P22455 2/20 0.32
FGFR3 P22607 2/20 0.32
MITF O75030 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 2/20 0.31
PTGS2 P35354 1/20 0.31
GSK3B P49841 1/20 0.31
CDC25A P30304 1/20 0.31
CDC25B P30305 1/20 0.31
BTK Q06187 1/20 0.31
CFTR P13569 1/20 0.30

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
SCHEMBL585694 0.84 CYP2A6 (0.46)
SCHEMBL586381 0.78 BACE1 (0.32) MAPTHTTLMNAALDH1A1KDM4E
SCHEMBL8670870 0.68 PDE4B (0.46) PDE4BKMT2AMAPTHTTLMNA
SCHEMBL31026172 0.61 ALDH1A1 (0.38) KMT2AMAPTHTTLMNAP2RX7
SCHEMBL11575247 0.61 MAOA (0.45) PDE4BKMT2AMAPTHTTLMNA
SCHEMBL532970 0.60 ALDH1A1 (0.67) PDE4BKMT2AMAPTHTTLMNA
SCHEMBL532969 0.60 ALDH1A1 (0.67) PDE4BKMT2AMAPTHTTLMNA
SCHEMBL852224 0.60 ALDH1A1 (0.67) PDE4BKMT2AMAPTHTTLMNA
SCHEMBL18691988 0.60 ALDH1A1 (0.47) PDE4BKMT2AMAPTHTTLMNA
SCHEMBL516326 0.60 PDE4B (0.54) PDE4BKMT2AMAPTHTTLMNA

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 PDE4B 4014/4885KMT2A 4323/4885MAPT 3077/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 PDE4B 4014/4885KMT2A 4323/4885MAPT 3077/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 PDE4B 4014/4885KMT2A 4323/4885MAPT 3077/4885

“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.