Sugi Predict

Sugi Predict / Compounds / SCHEMBL17854585

SCHEMBL17854585

SCHEMBL17854585

c1ccc(-c2cccc(N(c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 17/20 0.40
▸ MAPT P10636 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ APAF1 O14727 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ XBP1 P17861 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
SCHEMBL17854592 1.00 PDK2 (0.40) PDK2MAPTKDM4EMEN1LMNA
SCHEMBL17854602 0.99 PDK2 (0.39) PDK2MAPTKDM4EMEN1LMNA
SCHEMBL17854599 0.96 PDK2 (0.38) PDK2MAPTKDM4EMEN1LMNA
SCHEMBL24904701 0.96 KDM4E (0.37) PDK2MAPTKDM4EMEN1LMNA
SCHEMBL17854329 0.96 MEN1 (0.39) PDK2MAPTKDM4EMEN1LMNA
SCHEMBL17854597 0.96 PDK2 (0.41) PDK2MAPTKDM4EMEN1LMNA
SCHEMBL24905293 0.96 PDK2 (0.43) PDK2MAPTKDM4EMEN1LMNA
SCHEMBL17854595 0.96 PDK2 (0.43) PDK2MAPTKDM4EMEN1LMNA
SCHEMBL24156879 0.96 PDK2 (0.43) PDK2MAPTKDM4EMEN1LMNA
SCHEMBL17740576 0.96 PDK2 (0.43) PDK2MAPTKDM4EMEN1LMNA

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-10944057-B2 Compound, material for organic electroluminescence devices, organic electroluminescence device, and electronic equipment IDEMITSU KOSAN CO., LTD. (JP) 2021-03-09 — — US disclosed
US-20160176801-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 — — US disclosed
US-20160176801-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 — — 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-10944057-B2 Compound, material for organic electroluminescence devices, organic electroluminescence device, and electronic equipment OR10J3, KCNA5, KCNK10 PDK2 2045/4885MAPT 2030/4885KDM4E 783/4885
US-20160176801-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT OR10J3, KCNA5, KCNK10 PDK2 2045/4885MAPT 2030/4885KDM4E 783/4885

“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.