SCHEMBL4950358

SCHEMBL4950358

N#CCNc1ccc(Br)c(C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.43
HTT P42858 1/20 0.38
BLM P54132 1/20 0.37
WRN Q14191 1/20 0.37
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CDK1 P06493 1/20 0.35
CDK2 P24941 1/20 0.35
ALDH1A1 P00352 2/20 0.33
DRD4 P21917 2/20 0.33
IDH1 O75874 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL848671 0.80 HTT (0.50) HTTALDH1A1DRD4EGFRERBB2
SCHEMBL22273578 0.77 KDM4E (0.53) GRM4HTTBLMCA2CA9
SCHEMBL13192623 0.72 CA2 (0.46) CA2CA9CDK1CDK2ALDH1A1
SCHEMBL2129695 0.72 GRM4 (0.45) GRM4HTTCA2CA9ALDH1A1
SCHEMBL849569 0.72 ALDH1A1 (0.63) GRM4HTTBLMWRNCA2
SCHEMBL28286735 0.71 ABCG2 (0.43) HTTBLMALDH1A1IDH1EGFR
SCHEMBL21568203 0.70 GRM4 (0.52) GRM4BLMWRNALDH1A1DRD4
SCHEMBL18050952 0.70 GRM4 (0.59) GRM4HTTBLMWRNALDH1A1
SCHEMBL20095630 0.69 LOXL2 (0.50) GRM4BLMWRNCYP3A4MAPT
SCHEMBL29728269 0.69 ALDH1A1 (0.41) GRM4ALDH1A1EGFRCYP1A2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101189221-B Ampa receptor potentiators LILLY CO ELI 2011-06-01 CN disclosed
EP-1893597-B1 AMPA RECEPTOR POTENTIATORS LILLY CO ELI (US) 2008-11-12 EP disclosed
US-7393868-B2 AMPA receptor potentiators ELI LILLY AND COMPANY (US) 2008-07-01 US disclosed
CN-101189221-A AMPA receptor potentiators LILLY CO ELI (US) 2008-05-28 CN disclosed
EP-1893597-A2 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY (US) 2008-03-05 EP disclosed
US-20070142441-A1 AMPA receptor potentiators ELI LILLY AND COMPANY 2007-06-21 US disclosed
WO-2006132811-A2 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY (US) 2006-12-14 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 (1 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-20070142441-A1 AMPA receptor potentiators GABRE, GRIN1, GRIK2 GRM4 39/4885HTT 3905/4885BLM 3741/4885

“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.