SCHEMBL21399604

SCHEMBL21399604

N#Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2ccc(C(F)(F)F)cc2-n2c3ccccc3c3cc(-c4cccc(C#N)c4)ccc32)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.42
PDK2 Q15119 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.37
MAT2A P31153 1/20 0.37
CETP P11597 1/20 0.36
KIF11 P52732 2/20 0.36
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
CHEK1 O14757 1/20 0.34
PRF1 P14222 1/20 0.34
ENPP1 P22413 1/20 0.34
TRPA1 O75762 1/20 0.34
SGK1 O00141 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MAP4K4 O95819 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
CCR6 P51684 1/20 0.33
PTGER4 P35408 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
SCHEMBL21399766 0.96 PTPN5 (0.42) PTPN5PDK2PTGDR2MAT2ACETP
SCHEMBL21399609 0.96 PTPN5 (0.42) PTPN5PDK2PTGDR2MAT2ACETP
SCHEMBL21399267 0.95 KIF11 (0.39) PTPN5PDK2PTGDR2MAT2AKIF11
SCHEMBL21399448 0.94 KIF11 (0.36) PTPN5PDK2PTGDR2MAT2ACETP
SCHEMBL21399486 0.94 KIF11 (0.43) PTPN5PDK2PTGDR2KIF11PTGER4
SCHEMBL22985136 0.93 PTPN5 (0.38) PTPN5PDK2PTGDR2MAT2ACETP
SCHEMBL20848729 0.93 PTPN5 (0.38) PTPN5PDK2PTGDR2MAT2ACETP
SCHEMBL21399458 0.92 AR (0.39) PTPN5PDK2PTGDR2MAT2AKIF11
SCHEMBL20849583 0.92 PDK2 (0.39) PTPN5PDK2PTGDR2MAT2ACETP
SCHEMBL21399771 0.92 KIF11 (0.36) PTPN5PDK2PTGDR2CETPKIF11

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-20190292151-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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-20190292151-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, NR2E3, FOXO3 PTPN5 3267/4885PDK2 4121/4885PTGDR2 1288/4885

“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.