SCHEMBL22822639

SCHEMBL22822639

Cc1cc(C#N)cc(-c2cc(-n3c4ccc(-c5c(C)cc(C)cc5C)cc4c4cc(-c5c(C)cc(C)cc5C)ccc43)c(C#N)c(-n3c4ccc(-c5c(C)cc(C)cc5C)cc4c4cc(-c5c(C)cc(C)cc5C)ccc43)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.35
PGR P06401 1/20 0.34
XDH P47989 1/20 0.30
PDE9A O76083 1/20 0.30
PDE1C Q14123 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
SCHEMBL21414243 0.96 GRM5 (0.31) GRM5PGRPDE9APDE1C
SCHEMBL21414234 0.91 PDE9A (0.36) GRM5PDE9APDE1C
SCHEMBL21546832 0.90 GRIA2 (0.37) PGRXDH
SCHEMBL20617433 0.89 RXRA (0.40) XDH
SCHEMBL21414245 0.88 CHEK1 (0.32) GRM5PGR
SCHEMBL22822552 0.87 GRM5 (0.38) GRM5PGRXDH
SCHEMBL22822284 0.86 GRM5 (0.38) GRM5PGRPDE9APDE1C
SCHEMBL22156480 0.85 KDM4E (0.32) PDE9APDE1C
SCHEMBL21414241 0.85 PDE9A (0.36) GRM5PGRPDE9APDE1C
SCHEMBL19908999 0.84 ABL1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021473-B2 Organic molecules for use in organic optoelectronic devices CYNORA GMBH (DE) 2021-06-01 US disclosed
US-20200399256-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-12-24 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-11021473-B2 Organic molecules for use in organic optoelectronic devices OR10J3, OR51E2, OCIAD2 GRM5 3787/4885PGR 3109/4885XDH 430/4885
US-20200399256-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 GRM5 3775/4885PGR 3279/4885XDH 125/4885

“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.