SCHEMBL19918006

SCHEMBL19918006

N#Cc1cccc(-c2ccc3c4ccccc4n(-c4cc(C#N)c(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4-n4c5ccccc5c5ccc(-c6cccc(C#N)c6)cc54)c3c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.39
PDK2 Q15119 1/20 0.37
GRIN1 Q05586 3/20 0.36
GRIN2B Q13224 3/20 0.36
ENPP1 P22413 1/20 0.36
MAT2A P31153 1/20 0.35
TRPA1 O75762 1/20 0.34
CETP P11597 1/20 0.34
RXRA P19793 1/20 0.33
RXRG P48443 1/20 0.33
ALPL P05186 1/20 0.33
ALPI P09923 1/20 0.33
ALDH1A3 P47895 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SYK P43405 1/20 0.33
PGR P06401 1/20 0.33
XDH P47989 1/20 0.33
ADORA2A P29274 1/20 0.32
CCR6 P51684 1/20 0.32

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
SCHEMBL22822479 0.98 PTPN5 (0.39) PTPN5PDK2GRIN1GRIN2BENPP1
SCHEMBL22761121 0.97 PTPN5 (0.38) PTPN5PDK2GRIN1GRIN2BENPP1
SCHEMBL19903681 0.94 PTPN5 (0.39) PTPN5PDK2GRIN1GRIN2BENPP1
SCHEMBL19918004 0.94 PTPN5 (0.39) PTPN5PDK2GRIN1GRIN2BENPP1
SCHEMBL22822682 0.94 RXRA (0.39) PTPN5GRIN1GRIN2BRXRARXRG
SCHEMBL22564190 0.93 RXRA (0.40) PTPN5PDK2GRIN1GRIN2BRXRA
SCHEMBL19903696 0.93 RXRA (0.38) PTPN5GRIN1GRIN2BRXRARXRG
SCHEMBL22761116 0.93 PTPN5 (0.38) PTPN5PDK2GRIN1GRIN2BENPP1
SCHEMBL22822141 0.92 PTPN5 (0.39) PTPN5PDK2GRIN1GRIN2BENPP1
SCHEMBL22822472 0.92 PTPN5 (0.39) PTPN5PDK2GRIN1GRIN2BENPP1

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 3579/4885PDK2 3373/4885GRIN1 3265/4885
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 PTPN5 3658/4885PDK2 3319/4885GRIN1 3277/4885

“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.