SCHEMBL5058665

SCHEMBL5058665

O=C(NCc1cccnc1)c1ccc2c(c1)N=C(c1ccccc1F)c1ccccc1S2

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.62
CNR1 P21554 10/20 0.60
POLB P06746 1/20 0.55
CNR2 P34972 3/20 0.51
TP53 P04637 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
GFER P55789 1/20 0.47
ROCK2 O75116 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 1/20 0.47
USP2 O75604 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL5063139 0.91 CNR1 (0.54) PKMCNR1POLBCNR2TP53
SCHEMBL5062676 0.91 POLB (0.66) PKMCNR1POLBCNR2TP53
SCHEMBL5062892 0.90 CNR1 (0.60) PKMCNR1POLBCNR2TP53
SCHEMBL5057395 0.89 CNR1 (0.75) PKMCNR1POLBCNR2TP53
SCHEMBL5062711 0.89 CNR1 (0.66) PKMCNR1POLBCNR2TP53
SCHEMBL5067487 0.88 CNR1 (0.66) PKMCNR1POLBCNR2TP53
SCHEMBL13807811 0.87 PKM (0.66) PKMCNR1POLBCNR2TP53
SCHEMBL5064858 0.87 CNR1 (0.69) PKMCNR1POLBCNR2TP53
SCHEMBL13807991 0.86 CNR1 (0.67) PKMCNR1POLBCNR2TP53
SCHEMBL13807970 0.86 CNR1 (0.63) PKMCNR1POLBCNR2TP53

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
WO-2009075691-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2009-06-18 WO disclosed
WO-2008118141-A2 USE OF CANNABINOID MODULATING COMPOUNDS IN COMBINATION WITH OTHER THERAPEUTIC COMPOUNDS FOR ADJUNCTIVE THERAPY ACADIA PHARMACEUTICALS INC. (US) 2008-10-02 WO disclosed
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-17 US disclosed
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-17 US disclosed
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-17 US disclosed
US-20070105819-A1 CB-1 modulating compounds and their use ACADIA PHARMACEUTICALS, INC. 2007-05-10 US disclosed
US-20070105819-A1 CB-1 modulating compounds and their use ACADIA PHARMACEUTICALS, INC. 2007-05-10 US disclosed
US-20070105819-A1 CB-1 modulating compounds and their use ACADIA PHARMACEUTICALS, INC. 2007-05-10 US disclosed
WO-2007047737-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2007-04-26 WO 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-20070105819-A1 CB-1 modulating compounds and their use CNR1, CNR2, FAAH PKM 3337/4885CNR1 1/4885POLB 4785/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH PKM 3337/4885CNR1 1/4885POLB 4785/4885

“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.