SCHEMBL20848795

SCHEMBL20848795

N#Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)ccc2-n2c3ccccc3c3cc(-c4cccc(C#N)c4)ccc32)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
PTGDR2 Q9Y5Y4 1/20 0.37
CETP P11597 1/20 0.36
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
MAT2A P31153 1/20 0.35
ENPP1 P22413 1/20 0.34
CYP2C9 P11712 1/20 0.34
SCN9A Q15858 1/20 0.34
RORC P51449 1/20 0.34
KIF11 P52732 3/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
AR P10275 1/20 0.33
SGK1 O00141 1/20 0.33
TRPA1 O75762 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
PRF1 P14222 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
SCHEMBL20848729 0.96 PTPN5 (0.38) PTPN5PDK2PTGDR2CETPEDNRB
SCHEMBL20848998 0.96 PTPN5 (0.38) PTPN5PDK2PTGDR2CETPEDNRB
SCHEMBL20848814 0.96 PTPN5 (0.39) PTPN5PDK2PTGDR2CETPEDNRB
SCHEMBL20848901 0.95 KIF11 (0.36) PTPN5PDK2PTGDR2CETPEDNRB
SCHEMBL20849067 0.95 KIF11 (0.36) PTPN5PTGDR2CETPEDNRBEDNRA
SCHEMBL20848747 0.94 KIF11 (0.33) PTPN5PDK2PTGDR2CETPEDNRB
SCHEMBL20849136 0.94 KIF11 (0.40) PTPN5PDK2PTGDR2EDNRBEDNRA
SCHEMBL22985252 0.94 PDK2 (0.40) PTPN5PDK2ENPP1RORCKIF11
SCHEMBL22985402 0.94 KIF11 (0.36) PTGDR2EDNRBEDNRACYP2C9SCN9A
SCHEMBL20848839 0.93 KIF11 (0.36) PTPN5PTGDR2EDNRBEDNRACYP2C9

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-10978646-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-13 US disclosed
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-03-28 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-10978646-B2 Organic molecules for use in optoelectronic devices OCIAD2, OCIAD1, POU2F1 PTPN5 4494/4885PDK2 1574/4885PTGDR2 3905/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 PTPN5 4494/4885PDK2 1574/4885PTGDR2 3905/4885

“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.