SCHEMBL19903683

SCHEMBL19903683

N#Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(-n3c4ccc(-c5cccc(C#N)c5)cc4c4cc(-c5cccc(C#N)c5)ccc43)cc2C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.38
MAT2A P31153 1/20 0.38
ENPP1 P22413 1/20 0.37
PDK2 Q15119 1/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
TRPA1 O75762 1/20 0.35
CETP P11597 1/20 0.35
RXRA P19793 1/20 0.35
RXRG P48443 1/20 0.35
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35
PGR P06401 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SYK P43405 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MAP4K4 O95819 1/20 0.34
AR P10275 2/20 0.33
CCR6 P51684 1/20 0.33
GRM5 P41594 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
SCHEMBL22822264 0.98 PTPN5 (0.38) PTPN5MAT2AENPP1PDK2GRIN1
SCHEMBL19917919 0.97 PTPN5 (0.39) PTPN5MAT2AENPP1PDK2GRIN1
SCHEMBL22760873 0.97 ENPP1 (0.39) PTPN5MAT2AENPP1PDK2GRIN1
SCHEMBL22822143 0.95 PTPN5 (0.39) PTPN5MAT2AENPP1PDK2GRIN1
SCHEMBL22760613 0.94 PTPN5 (0.38) PTPN5MAT2AENPP1PDK2GRIN1
SCHEMBL19917823 0.93 PTPN5 (0.39) PTPN5MAT2AENPP1PDK2GRIN1
SCHEMBL22822418 0.92 RXRA (0.42) PTPN5MAT2APDK2GRIN1GRIN2B
SCHEMBL21440721 0.92 PTPN5 (0.38) PTPN5MAT2AENPP1PDK2GRIN1
SCHEMBL19917996 0.92 RXRA (0.41) RXRARXRG
SCHEMBL19903681 0.91 PTPN5 (0.39) PTPN5MAT2AENPP1PDK2GRIN1

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-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
EP-3287450-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-28 EP 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 3579/4885MAT2A 2881/4885ENPP1 4687/4885
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 PTPN5 3658/4885MAT2A 2653/4885ENPP1 4717/4885

“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.