SCHEMBL22158446

SCHEMBL22158446

CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1cc(-c2c(F)c(F)c(F)c(F)c2F)cc(-n2c3ccccc3c3cc(C(C)(C)C)ccc32)c1C#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.33
PGR P06401 2/20 0.33
PDE9A O76083 1/20 0.33
PDE1C Q14123 1/20 0.33
RORA P35398 1/20 0.33
RORB Q92753 1/20 0.33
KIF11 P52732 2/20 0.32
NRP1 O14786 1/20 0.32
AR P10275 2/20 0.32
NR1H3 Q13133 1/20 0.31
EGFR P00533 1/20 0.31
SRC P12931 1/20 0.31
DNMT1 P26358 3/20 0.31
HTR3A P46098 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL22158445 0.94 KIF11 (0.35) PDE9APDE1CKIF11NRP1EGFR
SCHEMBL22158421 0.94 KIF11 (0.33) PGRKIF11ARKDM4EALDH1A1
SCHEMBL22157047 0.93 PDE9A (0.32) RORCPGRPDE9APDE1CRORA
SCHEMBL22155923 0.91 PDE9A (0.31) RORCPGRPDE9APDE1CRORA
SCHEMBL22157053 0.90 PDE9A (0.31) RORCPGRPDE9APDE1CRORA
SCHEMBL22155875 0.90 KIF11 (0.34) RORCPGRPDE9APDE1CRORA
SCHEMBL22157102 0.89 KIF11 (0.33) RORCPGRPDE9APDE1CRORA
SCHEMBL22156862 0.89 RAPGEF3 (0.34) RORCPGRRORARORBKIF11
SCHEMBL22158447 0.88 KIF11 (0.32) KIF11KDM4EALDH1A1
SCHEMBL22158454 0.87 KDM4E (0.36) PDE9APDE1CEGFRSRCHTR3A

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-20200203628-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-06-25 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-20200203628-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, OR51E2 RORC 869/4885PGR 2348/4885PDE9A 4546/4885

“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.