SCHEMBL804796

SCHEMBL804796

Cc1cc(-c2nc3cccnc3n2-c2ccccc2C)c(C)cc1-c1nc2cccnc2n1-c1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 7/20 0.47
AKT2 P31751 3/20 0.47
TSHR P16473 1/20 0.44
AKT3 Q9Y243 1/20 0.43
PDE4B Q07343 6/20 0.41
PDE4D Q08499 2/20 0.41
PDE2A O00408 1/20 0.41
PDE10A Q9Y233 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EPHB4 P54760 1/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL13871817 0.94 AKT1 (0.51) AKT1AKT2AKT3PDE4BTP53
SCHEMBL13943550 0.94 TSHR (0.52) AKT1AKT2TSHRAKT3PDE4B
SCHEMBL13052968 0.93 AKT1 (0.48) AKT1AKT2TSHRAKT3PDE4B
SCHEMBL12854007 0.90 AKT1 (0.51) AKT1AKT2TSHRAKT3PDE4B
SCHEMBL14679569 0.87 AKT1 (0.38) AKT1AKT2TSHRAKT3PDE4B
SCHEMBL64513 0.87 TSHR (0.45) AKT1AKT2TSHRPDE4BPDE4D
SCHEMBL19719407 0.87 AKT1 (0.43) AKT1AKT2TSHRAKT3PDE4B
SCHEMBL13052947 0.86 AKT1 (0.49) AKT1AKT2TSHRAKT3PDE4B
SCHEMBL13052976 0.85 TSHR (0.46) AKT1AKT2TSHRAKT3PDE4B
SCHEMBL804993 0.85 TSHR (0.46) AKT1AKT2TSHRAKT3PDE4B

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 179 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-20070128467-A1 Material for organic electroluminescent device and organic electroluminescent device using same IDEMITSU KOSAN C., LTD. (JP) 2007-06-07 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
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 (6 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 AKT1 2606/4885AKT2 3234/4885TSHR 4787/4885
US-20220407018-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME PPOX, EPCAM, STOM AKT1 2496/4885AKT2 3208/4885TSHR 4783/4885
US-20180083205-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME EPCAM, ILK, PPOX AKT1 2661/4885AKT2 3295/4885TSHR 4782/4885
US-10020454-B2 Material for organic electroluminescence device and organic electroluminescence device using the same PPOX, EPCAM, STOM AKT1 2496/4885AKT2 3208/4885TSHR 4783/4885
US-20070108891-A1 METAL-COMPLEX COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE COMPOUND EMC2, LAGE3, EPCAM AKT1 4650/4885AKT2 4736/4885TSHR 4156/4885
US-10026907-B2 Material for organic electroluminescence device and organic electroluminescence device using the same EPCAM, ILK, PPOX AKT1 2606/4885AKT2 3234/4885TSHR 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.