SCHEMBL22939508

SCHEMBL22939508

CN1C=CN(c2cccc(Oc3cccc(N(c4ccccc4)c4ccccn4)c3)c2)C1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.35
FFAR4 Q5NUL3 2/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
FFAR1 O14842 1/20 0.32
GRM2 Q14416 1/20 0.32
MGLL Q99685 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
OPRM1 P35372 1/20 0.31
MAPT P10636 3/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
CETP P11597 1/20 0.30
LMNA P02545 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL26247630 0.97 GRM5 (0.33) GRM5FFAR4TRPM8FFAR1GRM2
SCHEMBL21362348 0.81 NPC1 (0.31) MAPTNPC1
SCHEMBL22939062 0.75 CYP3A4 (0.44) MEN1KMT2AHTT
SCHEMBL27455387 0.74 GRM5 (0.36) GRM5FFAR4GRM2MGLLLMNA
SCHEMBL23424278 0.72 CYP3A4 (0.42) MEN1KMT2AHTT
SCHEMBL26244592 0.71 GRM5 (0.35) GRM5GRM2MGLLLMNA
SCHEMBL23424254 0.70 DYRK1A (0.42) GRM5TRPM8MEN1KMT2AOPRM1
SCHEMBL21362289 0.70 PTGS2 (0.34) FFAR4MAPTLMNANPC1
SCHEMBL23392635 0.69 REN (0.35) GRM5MEN1KMT2AMAPTGAA
SCHEMBL4647647 0.67 ALDH1A1 (0.45) MAPTLMNA

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-20210036243-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPLEX FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2021-02-04 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-20210036243-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPLEX FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, EML4, EPCAM GRM5 1875/4885FFAR4 4529/4885TRPM8 276/4885

“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.