SCHEMBL22780423

SCHEMBL22780423

c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-3)C3CC4CC(C3)CC2C4)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.36
KDM4E B2RXH2 1/20 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
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD11B1 P28845 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
SCHEMBL25452278 1.00 PDK2 (0.36) PDK2KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL25452294 0.96 PDK2 (0.34) PDK2KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL22787839 0.95 PDK2 (0.35) PDK2HSD11B1
SCHEMBL22780034 0.95 PDK2 (0.35) PDK2HSD11B1
SCHEMBL25451199 0.95 PDK2 (0.34) PDK2
SCHEMBL23333439 0.93 PDK2 (0.35) PDK2HSD11B1
SCHEMBL22780489 0.93 PDK2 (0.35) PDK2HSD11B1
SCHEMBL23333436 0.93 PDK2 (0.35) PDK2HSD11B1
SCHEMBL25451950 0.93 PDK2 (0.35) PDK2HSD11B1
SCHEMBL22779947 0.93 PDK2 (0.35) PDK2HSD11B1

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
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
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
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 1690/4885KDM4E 1571/4885ALDH1A1 1368/4885
US-10985324-B2 Nitrogen-containing compound, organic electroluminescent device and photoelectric conversion device NOS1, NOM1, NUDC PDK2 1690/4885KDM4E 1571/4885ALDH1A1 1368/4885

“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.