SCHEMBL5887338

SCHEMBL5887338

COc1ccc(C2=C(I)C(c3ccc(Cl)c(Cl)c3)=CC[CH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.41
RAD51 Q06609 2/20 0.36
MAOB P27338 1/20 0.36
GUSB P08236 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
TEK Q02763 1/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
SRC P12931 1/20 0.34
MAPT P10636 3/20 0.33
CLK1 P49759 1/20 0.33
CLK2 P49760 1/20 0.33
DYRK1A Q13627 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33

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
SCHEMBL5887298 0.86 RAD51 (0.40) EGFRRAD51MAOBGUSBADORA2A
SCHEMBL5887645 0.85 RAD51 (0.37) EGFRRAD51MAOBGUSBADORA1
SCHEMBL5887524 0.85 RAD51 (0.37) EGFRRAD51MAOBGUSBADORA2A
SCHEMBL5887082 0.80 CLK4 (0.35) EGFRRAD51GUSBTEKMAPT
SCHEMBL5887017 0.80 EGFR (0.38) EGFRMAOBMAPTAHR
SCHEMBL5887174 0.79 MAPT (0.39) EGFRRAD51MAOBGUSBSRC
SCHEMBL5887462 0.78 EGFR (0.33) EGFRRAD51MAOBGUSBTEK
SCHEMBL5887002 0.77 LTA4H (0.49) MAOBMAPT
SCHEMBL5887361 0.74 RAD51 (0.40) EGFRRAD51GUSBTEKSRC
SCHEMBL5887251 0.74 BACE1 (0.41) MAPTCLK4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 US disclosed
US-20050026903-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-03 US disclosed
US-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders JONES TODD K (US) 2005-01-27 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 (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-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders CCKAR, CCKBR, NPY1R EGFR 563/4885RAD51 2282/4885MAOB 1004/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R EGFR 122/4885RAD51 1217/4885MAOB 2097/4885

“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.