SCHEMBL20848950

SCHEMBL20848950

N#Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)c(-c3cc(C#N)ccc3-n3c4ccc(-c5cccc(C#N)c5)cc4c4cc(-c5cccc(C#N)c5)ccc43)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.36
PDK2 Q15119 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
MAT2A P31153 1/20 0.35
CETP P11597 1/20 0.34
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
KIF11 P52732 2/20 0.33
ELANE P08246 3/20 0.33
TRPA1 O75762 1/20 0.32
CYP2C9 P11712 1/20 0.32
SCN9A Q15858 1/20 0.32
MCHR1 Q99705 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CCR6 P51684 1/20 0.31
RORC P51449 1/20 0.31

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
SCHEMBL20848780 0.97 PTPN5 (0.36) PTPN5PDK2PTGDR2MAT2ACETP
SCHEMBL20849191 0.94 KIF11 (0.35) PTPN5PDK2PTGDR2KIF11ELANE
SCHEMBL22985641 0.94 PDK2 (0.37) PTPN5PDK2KIF11MCHR1HRH3
SCHEMBL20848542 0.94 KIF11 (0.33) PTGDR2KIF11
SCHEMBL20848491 0.94 KIF11 (0.40) PTPN5PDK2PTGDR2KIF11ELANE
SCHEMBL20848892 0.93 AR (0.40) PTPN5PTGDR2MAT2AKIF11ELANE
SCHEMBL20849190 0.92 KIF11 (0.33) PTPN5PDK2PTGDR2KIF11SCN9A
SCHEMBL20848781 0.92 KIF11 (0.33) PTGDR2KIF11
SCHEMBL22985479 0.92 KIF11 (0.34) PTGDR2KIF11ELANECYP2C9SCN9A
SCHEMBL20848512 0.91 KIF11 (0.31) PTPN5KIF11

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.