SCHEMBL22891640

SCHEMBL22891640

c1ccc(Nc2ccc3c(c2)N(c2ccc(-c4ccccc4)cc2)c2ccccc2C32c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.40
▸ GNG2 P59768 2/20 0.39
▸ GNB1 P62873 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.38
▸ PGR P06401 1/20 0.35
▸ PDE6D O43924 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ GFER P55789 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.33
▸ AR P10275 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ APP P05067 1/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ PTGS1 P23219 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
SCHEMBL22891638 0.95 PDK2 (0.40) PDK2GNG2GNB1HSP90AA1PGR
SCHEMBL22891764 0.92 GNG2 (0.45) PDK2GNG2GNB1HSP90AA1PGR
SCHEMBL22891763 0.91 GNG2 (0.40) PDK2GNG2GNB1HSP90AA1PGR
SCHEMBL23637461 0.89 PGR (0.43) PDK2GNG2GNB1HSP90AA1PGR
SCHEMBL22891468 0.87 PDK2 (0.43) PDK2GNG2GNB1HSP90AA1PGR
SCHEMBL22891670 0.86 ALDH1A1 (0.46) PDK2GNG2GNB1HSP90AA1PGR
SCHEMBL22891526 0.85 PDK2 (0.38) PDK2GNG2GNB1HSP90AA1PGR
SCHEMBL22891464 0.85 PDK2 (0.46) PDK2GNG2GNB1HSP90AA1PGR
SCHEMBL22891467 0.85 PDK2 (0.49) PDK2GNG2GNB1HSP90AA1PGR
SCHEMBL29334608 0.84 PDK2 (0.41) PDK2GNG2GNB1HSP90AA1PGR

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-20210013420-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2021-01-14 — — US disclosed
EP-3764416-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF Duk San Neolux Co., Ltd. (KR) 2021-01-13 — — EP 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 (1 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-20210013420-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF PIEZO1, ORAI2, OR10J3 PDK2 2546/4885GNG2 2366/4885GNB1 2424/4885

“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.

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