SCHEMBL804806

SCHEMBL804806

Cc1ccccc1-n1c(-c2cc(-c3nc4cccnc4n3-c3ccccc3C)nc(-c3nc4cccnc4n3-c3ccccc3C)c2)nc2cccnc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 4/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
AKT1 P31749 3/20 0.39
AKT2 P31751 1/20 0.39
PDE4B Q07343 6/20 0.39
PDE4D Q08499 2/20 0.39
FLT3 P36888 1/20 0.38
GSK3B P49841 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.38
BRD4 O60885 1/20 0.38

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
SCHEMBL13023896 0.94 TSHR (0.49) MEN1KMT2ATSHRALDH1A1GAA
SCHEMBL64513 0.92 TSHR (0.45) MEN1KMT2ATSHRALDH1A1GAA
SCHEMBL14947878 0.86 ALDH1A1 (0.48) MEN1KMT2ATSHRALDH1A1GAA
SCHEMBL19719407 0.86 AKT1 (0.43) MEN1KMT2ATSHRALDH1A1GAA
SCHEMBL13324389 0.86 TSHR (0.54) MEN1KMT2ATSHRALDH1A1GAA
SCHEMBL13023889 0.86 TSHR (0.54) MEN1KMT2ATSHRALDH1A1GAA
SCHEMBL13607194 0.84 MEN1 (0.39) MEN1KMT2ATSHRALDH1A1GAA
SCHEMBL13052968 0.83 AKT1 (0.48) MEN1KMT2ATSHRALDH1A1AKT1
SCHEMBL13998693 0.83 TSHR (0.44) MEN1KMT2ATSHRALDH1A1GAA
SCHEMBL14947865 0.82 ALDH1A1 (0.50) MEN1KMT2ATSHRALDH1A1CYP2C19

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 171 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220407018-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2022-12-22 US disclosed
US-RE49118-E1 Material for organic electroluminescence device and electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2022-06-28 US disclosed
US-11069862-B2 Material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2021-07-20 US disclosed
US-10026907-B2 Material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2018-07-17 US disclosed
US-10026907-B2 Material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2018-07-17 US disclosed
US-10020454-B2 Material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2018-07-10 US disclosed
US-10020454-B2 Material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2018-07-10 US disclosed
US-20180083205-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2018-03-22 US disclosed
US-20180083205-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2018-03-22 US disclosed
US-20180040835-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2018-02-08 US disclosed
US-20070141387-A1 Material for organic electroluminescence device and electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2007-06-21 US disclosed
US-20070135652-A1 METAL-COMPLEX COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2007-06-14 US disclosed
US-20070128467-A1 Material for organic electroluminescent device and organic electroluminescent device using same IDEMITSU KOSAN C., LTD. (JP) 2007-06-07 US disclosed
US-20070108891-A1 METAL-COMPLEX COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2007-05-17 US disclosed
US-20070108891-A1 METAL-COMPLEX COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2007-05-17 US disclosed
US-20070111024-A1 Metal complex compound and organic electroluminescence device containing the same IDEMITSU KOSAN CO., LTD. (JP) 2007-05-17 US disclosed
US-20070111024-A1 Metal complex compound and organic electroluminescence device containing the same IDEMITSU KOSAN CO., LTD. (JP) 2007-05-17 US disclosed
US-20070104976-A1 Material for organic electroluminescent device and organic electroluminescent device using same IDEMITSU KOSAN CO., LTD. (JP) 2007-05-10 US disclosed
US-20070104976-A1 Material for organic electroluminescent device and organic electroluminescent device using same IDEMITSU KOSAN CO., LTD. (JP) 2007-05-10 US disclosed
US-20070069638-A1 Blue organic electroluminescent device IDEMITSU KOSAN CO., LTD. (JP) 2007-03-29 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 (7 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-11069862-B2 Material for organic electroluminescence device and organic electroluminescence device using the same EPCAM, ILK, PPOX MEN1 2534/4885KMT2A 1332/4885TSHR 4787/4885
US-20220407018-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME PPOX, EPCAM, STOM MEN1 2874/4885KMT2A 1555/4885TSHR 4783/4885
US-20070135652-A1 METAL-COMPLEX COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE COMPOUND EMC2, EMC1, L1CAM MEN1 558/4885KMT2A 935/4885TSHR 4153/4885
US-20180083205-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME EPCAM, ILK, PPOX MEN1 2559/4885KMT2A 1281/4885TSHR 4782/4885
US-10020454-B2 Material for organic electroluminescence device and organic electroluminescence device using the same PPOX, EPCAM, STOM MEN1 2874/4885KMT2A 1555/4885TSHR 4783/4885
US-20070108891-A1 METAL-COMPLEX COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE COMPOUND EMC2, LAGE3, EPCAM MEN1 503/4885KMT2A 1464/4885TSHR 4156/4885
US-10026907-B2 Material for organic electroluminescence device and organic electroluminescence device using the same EPCAM, ILK, PPOX MEN1 2534/4885KMT2A 1332/4885TSHR 4787/4885

“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.