SCHEMBL22017311

SCHEMBL22017311

N#Cc1cc(C#N)cc(-c2c(F)c(F)c(F)c(F)c2F)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.38
TTR P02766 2/20 0.33
ALB P02768 2/20 0.33
CYP1A2 P05177 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
KIF11 P52732 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2A6 P11509 1/20 0.32
PGR P06401 1/20 0.32
CLK4 Q9HAZ1 1/20 0.31
VCAM1 P19320 1/20 0.31
MAP4K4 O95819 1/20 0.31

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
SCHEMBL23957253 0.89 GRM5 (0.35) GRM5TTRALBCYP1A2MEN1
SCHEMBL16127479 0.79 CLK4 (0.52) CLK4
SCHEMBL16772013 0.77
SCHEMBL4147130 0.76 KIF11 (0.48) CYP11B2KIF11ALDH1A1CYP2A6
SCHEMBL21077232 0.74 KIF11 (0.47) CYP11B2KIF11ALDH1A1CYP2A6
SCHEMBL17563224 0.73 CHRNB2 (0.30) ALDH1A1
SCHEMBL60145 0.72 TTR (0.50) TTRALBMEN1KMT2AALDH1A1
SCHEMBL22017313 0.71 TTR (0.33) GRM5TTRALBMEN1KMT2A
SCHEMBL1421650 0.71 GRM5 (0.47) GRM5
SCHEMBL13606452 0.70 GRM5 (0.53) GRM5PGRMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200161562-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-05-21 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 (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-20200161562-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE EML4, CELF2, L1CAM GRM5 2354/4885TTR 3504/4885ALB 1601/4885

“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.