SCHEMBL20848780

SCHEMBL20848780

N#Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)c(-c3cc(C#N)ccc3-n3c4ccccc4c4cc(-c5cccc(C#N)c5)ccc43)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.36
PDK2 Q15119 1/20 0.35
MAT2A P31153 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CETP P11597 1/20 0.32
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
ELANE P08246 2/20 0.31
KIF11 P52732 1/20 0.31
SGK1 O00141 1/20 0.31
TRPA1 O75762 1/20 0.30
CYP2C9 P11712 1/20 0.30
SCN9A Q15858 1/20 0.30
ENPP1 P22413 1/20 0.30
PRF1 P14222 1/20 0.30
CHEK1 O14757 1/20 0.30
PDPK1 O15530 1/20 0.30

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
SCHEMBL20848950 0.97 PTPN5 (0.36) PTPN5PDK2MAT2APTGDR2CETP
SCHEMBL20849190 0.96 KIF11 (0.33) PTPN5PDK2PTGDR2KIF11SCN9A
SCHEMBL20848512 0.95 KIF11 (0.31) PTPN5KIF11PDPK1
SCHEMBL20848908 0.95 KIF11 (0.36) PTPN5PDK2PTGDR2ELANEKIF11
SCHEMBL22985122 0.95 PDK2 (0.37) PTPN5PDK2KIF11ENPP1PRF1
SCHEMBL20848951 0.94 AR (0.32) ELANEKIF11CYP2C9SCN9APDPK1
SCHEMBL20848891 0.94 AR (0.38) PTPN5ELANEKIF11CYP2C9SCN9A
SCHEMBL20848782 0.93 KIF11 (0.31) KIF11PDPK1
SCHEMBL22985482 0.93 AR (0.32) ELANEKIF11CYP2C9SCN9APDPK1
SCHEMBL20849191 0.93 KIF11 (0.35) PTPN5PDK2PTGDR2ELANEKIF11

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 1574/4885MAT2A 2519/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 PTPN5 4494/4885PDK2 1574/4885MAT2A 2519/4885

“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.