Sugi Predict

Sugi Predict / Compounds / SCHEMBL17854597

SCHEMBL17854597

SCHEMBL17854597

c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 18/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ APAF1 O14727 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ PTBP1 P26599 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ GALK1 P51570 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ SMAD3 P84022 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ NPSR1 Q6W5P4 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
SCHEMBL17854602 0.97 PDK2 (0.39) PDK2MEN1LMNAMAPTKMT2A
SCHEMBL17854319 0.97 MEN1 (0.39) PDK2MEN1LMNAMAPTKMT2A
SCHEMBL17740576 0.97 PDK2 (0.43) PDK2MEN1LMNAMAPTKMT2A
SCHEMBL17854595 0.97 PDK2 (0.43) PDK2MEN1LMNAMAPTKMT2A
SCHEMBL17854585 0.96 PDK2 (0.40) PDK2MEN1LMNAMAPTKMT2A
SCHEMBL17854592 0.96 PDK2 (0.40) PDK2MEN1LMNAMAPTKMT2A
SCHEMBL17854367 0.96 MEN1 (0.38) PDK2MEN1LMNAMAPTKMT2A
SCHEMBL17854596 0.95 PDK2 (0.39) PDK2MEN1LMNAMAPTKMT2A
SCHEMBL17854587 0.95 PDK2 (0.41) PDK2MEN1LMNAMAPTKMT2A
SCHEMBL17854610 0.95 MEN1 (0.44) PDK2MEN1LMNAMAPTKMT2A

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 2045/4885MEN1 796/4885LMNA 638/4885
US-20160176801-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT OR10J3, KCNA5, KCNK10 PDK2 2045/4885MEN1 796/4885LMNA 638/4885

“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.