SCHEMBL20111870

SCHEMBL20111870

N#Cc1cccc(-c2ccc3c4ccc(-c5cccc(C#N)c5)cc4n(-c4cc(C#N)cc(-n5c6cc(-c7cccc(C#N)c7)ccc6c6ccc(-c7cccc(C#N)c7)cc65)c4-c4ccc(C(F)(F)F)cc4C(F)(F)F)c3c2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.40
PDK2 Q15119 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
GRIN1 Q05586 3/20 0.38
GRIN2B Q13224 3/20 0.38
MAT2A P31153 1/20 0.38
CETP P11597 1/20 0.36
PRF1 P14222 1/20 0.35
TRPA1 O75762 1/20 0.35
CYP2C9 P11712 1/20 0.35
SCN9A Q15858 1/20 0.35
KIF11 P52732 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CCR6 P51684 1/20 0.33
RORC P51449 1/20 0.33
ENPP1 P22413 1/20 0.33
AR P10275 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
CHEK1 O14757 1/20 0.33

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
SCHEMBL20111869 0.96 PTPN5 (0.40) PTPN5PDK2PTGDR2GRIN1GRIN2B
SCHEMBL21546626 0.93 PTGDR2 (0.39) PTPN5PDK2PTGDR2GRIN1GRIN2B
SCHEMBL21258599 0.93 KIF11 (0.37) PTPN5PDK2PTGDR2GRIN1GRIN2B
SCHEMBL21258779 0.93 RXRA (0.36) PTPN5PTGDR2CYP2C9SCN9AKIF11
SCHEMBL25659084 0.93 PDK2 (0.40) PTPN5PDK2GRIN1GRIN2BMAT2A
SCHEMBL20111876 0.92 PTPN5 (0.40) PTPN5PDK2PTGDR2GRIN1GRIN2B
SCHEMBL21258803 0.91 AR (0.45) PTPN5PDK2PTGDR2GRIN1GRIN2B
SCHEMBL20111889 0.91 KIF11 (0.45) PTPN5PDK2PTGDR2KIF11AR
SCHEMBL20112035 0.91 ALOX5AP (0.38) PTGDR2CYP2C9SCN9AKIF11AR
SCHEMBL20111872 0.90 PTPN5 (0.40) PTPN5PDK2PTGDR2GRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10971688-B2 Organic molecules for use in organic optoelectronic devices CYNORA GMBH (DE) 2021-04-06 US disclosed
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-08-15 US disclosed
WO-2018077492-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-03 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 (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-10971688-B2 Organic molecules for use in organic optoelectronic devices OR10J3, OR51E2, OPRM1 PTPN5 4400/4885PDK2 2255/4885PTGDR2 221/4885
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 PTPN5 3842/4885PDK2 3415/4885PTGDR2 1298/4885

“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.