SCHEMBL2435448

SCHEMBL2435448

Cc1ccc(-c2ccc(C[C@H](N)[C@@H](O)C[C@@H](N)Cc3ccccc3)cc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 2/20 0.42
SCN4A P35499 3/20 0.40
EPHX1 P07099 1/20 0.39
REN P00797 2/20 0.38
GPR88 Q9GZN0 1/20 0.37
AKT1 P31749 3/20 0.36
DAPK3 O43293 2/20 0.36
RPS6KA5 O75582 2/20 0.36
RPS6KA4 O75676 2/20 0.36
PRKD3 O94806 2/20 0.36
MAP4K4 O95819 2/20 0.36
PAK4 O96013 2/20 0.36
CHEK2 O96017 2/20 0.36
PRKCG P05129 2/20 0.36
PIM1 P11309 2/20 0.36
PHKG2 P15735 2/20 0.36
PRKACA P17612 2/20 0.36
RPS6KB1 P23443 2/20 0.36
CDK2 P24941 2/20 0.36
MAPK1 P28482 2/20 0.36

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
SCHEMBL3795178 0.85 CCR1 (0.42) ROCK1ROCK2
SCHEMBL3795181 0.85 CCR1 (0.42) ROCK1ROCK2
SCHEMBL8233707 0.84 EPHX1 (0.52) CSNK1EEPHX1RENGPR88ANPEP
SCHEMBL2433624 0.84 MKNK1 (0.49) CSNK1EEPHX1GPR88AKT1MKNK2
SCHEMBL2433134 0.83 GPR88 (0.37) SCN4ARENGPR88
SCHEMBL7195304 0.79 EPHX1 (0.61) CSNK1ESCN4AEPHX1ANPEP
SCHEMBL30025452 0.79 EPHX1 (0.61) CSNK1ESCN4AEPHX1ANPEP
SCHEMBL7797835 0.79 EPHX1 (0.61) CSNK1ESCN4AEPHX1ANPEP
SCHEMBL7308044 0.79 EPHX1 (0.61) CSNK1ESCN4AEPHX1ANPEP
SCHEMBL2436429 0.79 EPHX1 (0.61) CSNK1ESCN4AEPHX1ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140194349-A1 HIV Protease Inhibiting Compounds ABBVIE INC. (US) 2014-07-10 US disclosed
EP-1697344-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-09-28 EP disclosed
EP-2266971-A2 Hiv protease inhibiting compounds Abbott Laboratories (US) 2010-12-29 EP disclosed
US-7834043-B2 Prevent reproduct of aids virus ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-20100249181-A1 HIV Protease Inhibiting Compounds ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
EP-1697344-A2 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2006-09-06 EP disclosed
US-20050148623-A1 Prevent reproduct of aids virus ABBVIE INC. 2005-07-07 US disclosed
WO-2005058841-A2 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2005-06-30 WO disclosed
US-20050131017-A1 HIV protease inhibiting compounds ABBOTT LABORATORIES 2005-06-16 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 (4 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-20050148623-A1 Prevent reproduct of aids virus SERPINB1, PRSS1, SERPINA3 CSNK1E 3696/4885SCN4A 4670/4885EPHX1 1886/4885
US-20050131017-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP CSNK1E 1502/4885SCN4A 4718/4885EPHX1 2053/4885
US-20100249181-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP CSNK1E 1502/4885SCN4A 4718/4885EPHX1 2053/4885
US-20140194349-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP CSNK1E 1502/4885SCN4A 4718/4885EPHX1 2053/4885

“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.