SCHEMBL19918044

SCHEMBL19918044

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.41
GRIN1 Q05586 3/20 0.40
GRIN2B Q13224 3/20 0.40
RXRA P19793 1/20 0.40
RXRG P48443 1/20 0.40
MAT2A P31153 1/20 0.38
PDK2 Q15119 1/20 0.37
TRPA1 O75762 1/20 0.35
CETP P11597 1/20 0.35
KIF11 P52732 1/20 0.35
SYK P43405 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
XDH P47989 2/20 0.34
MAP4K4 O95819 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC22A12 Q96S37 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CCR6 P51684 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
SCHEMBL20617259 0.99 PTPN5 (0.42) PTPN5GRIN1GRIN2BRXRARXRG
SCHEMBL21546623 0.97 RXRA (0.41) PTPN5GRIN1GRIN2BRXRARXRG
SCHEMBL19918041 0.96 PTPN5 (0.41) PTPN5GRIN1GRIN2BRXRARXRG
SCHEMBL20617255 0.95 PTPN5 (0.41) PTPN5GRIN1GRIN2BRXRARXRG
SCHEMBL22760754 0.93 PTPN5 (0.41) PTPN5GRIN1GRIN2BRXRARXRG
SCHEMBL20617423 0.93 RXRA (0.45) PTPN5GRIN1GRIN2BRXRARXRG
SCHEMBL21546740 0.93 PTPN5 (0.40) PTPN5GRIN1GRIN2BRXRARXRG
SCHEMBL19903437 0.93 MAT2A (0.39) PTPN5GRIN1GRIN2BRXRARXRG
SCHEMBL22564341 0.92 RXRA (0.46) PTPN5GRIN1GRIN2BRXRARXRG
SCHEMBL19903667 0.92 RXRA (0.43) PTPN5GRIN1GRIN2BRXRARXRG

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-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-10-08 US disclosed
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 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-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, ORC3, AOC3 PTPN5 3579/4885GRIN1 3265/4885GRIN2B 2963/4885
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 PTPN5 3658/4885GRIN1 3277/4885GRIN2B 2993/4885

“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.