SCHEMBL22780437

SCHEMBL22780437

c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)cc3)c3cccc4ccccc34)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.34
HSD11B1 P28845 1/20 0.31
C5AR1 P21730 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
SLC6A9 P48067 1/20 0.30
LTC4S Q16873 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
SCHEMBL22780142 1.00 PDK2 (0.34) PDK2HSD11B1C5AR1CA12CA1
SCHEMBL22780323 0.98 PDK2 (0.32) PDK2
SCHEMBL22780143 0.97 PDK2 (0.32) PDK2
SCHEMBL22787982 0.96 HSD11B1 (0.31) HSD11B1LTC4S
SCHEMBL22780219 0.96 PDK2 (0.30) PDK2
SCHEMBL22780053 0.95 PDK2 (0.32) PDK2CA12CA1CA2CA9
SCHEMBL22780021 0.94 CA12 (0.32) PDK2CA12CA1CA2CA9
SCHEMBL22780573 0.94 PIM1 (0.30)
SCHEMBL23614166 0.94 SLC6A9 (0.32) CA12CA1CA2CA9SLC6A9
SCHEMBL23614344 0.94 SLC6A9 (0.32) CA12CA1CA2CA9SLC6A9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10985324-B2 Nitrogen-containing compound, organic electroluminescent device and photoelectric conversion device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2021-04-20 US disclosed
US-20200395544-A1 Nitrogen-containing compound, organic electroluminescent device and photoelectric conversion device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2020-12-17 US disclosed
WO-2020248755-A1 NITROGEN-CONTAINING COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND PHOTOELECTRIC CONVERSION DEVICE 陕西莱特光电材料股份有限公司 2020-12-17 WO disclosed
EP-3750875-A2 NITROGEN-CONTAINING COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND PHOTOELECTRIC CONVERSION DEVICE Shaanxi Lighte Optoelectronics Material Co., Ltd. (CN) 2020-12-16 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 (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-20200395544-A1 Nitrogen-containing compound, organic electroluminescent device and photoelectric conversion device NOS1, NOM1, NUDC PDK2 1690/4885HSD11B1 3619/4885C5AR1 2078/4885
US-10985324-B2 Nitrogen-containing compound, organic electroluminescent device and photoelectric conversion device NOS1, NOM1, NUDC PDK2 1690/4885HSD11B1 3619/4885C5AR1 2078/4885

“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.