SCHEMBL21135040

SCHEMBL21135040

c1ccc(-c2nnc(-c3ccccc3-n3cccn3)n2-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.46
AVPR1A P37288 1/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 3/20 0.44
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAT2A P31153 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
HDAC6 Q9UBN7 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
SCHEMBL21135042 0.77 CYP3A4 (0.49) AKT1AVPR1AKDM4EHSD17B10ALDH1A1
SCHEMBL17069885 0.77 AVPR1A (0.59) AKT1AVPR1AKDM4EHSD17B10ALDH1A1
SCHEMBL17023639 0.77 AVPR1A (0.59) AKT1AVPR1AKDM4EHSD17B10ALDH1A1
SCHEMBL17954875 0.77 AKT1 (0.50) AKT1AVPR1AKDM4EHSD17B10ALDH1A1
SCHEMBL39449 0.74 AVPR1A (0.70) AVPR1AKDM4EHSD17B10ALDH1A1TSHR
SCHEMBL18327898 0.74 AVPR1A (0.70) AVPR1AKDM4EHSD17B10ALDH1A1TSHR
SCHEMBL10111060 0.74 KDM4E (0.49) AKT1AVPR1AKDM4EHSD17B10ALDH1A1
SCHEMBL21135308 0.73 AVPR1A (0.46) AKT1AVPR1AKDM4EHSD17B10ALDH1A1
SCHEMBL15207576 0.72 AVPR1A (0.59) AKT1AVPR1AKDM4EHSD17B10ALDH1A1
SCHEMBL21135041 0.72 AKT1 (0.43) AKT1AVPR1AKDM4EHSD17B10ALDH1A1

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-10818850-B2 Organic electroluminescence device and compound including nitrogen for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2020-10-27 US disclosed
US-20190198773-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND COMPOUND INCLUDING NITROGEN FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-06-27 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 (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-20190198773-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND COMPOUND INCLUDING NITROGEN FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, CHRM1, FOXM1 AKT1 1494/4885AVPR1A 2232/4885KDM4E 1533/4885
US-10818850-B2 Organic electroluminescence device and compound including nitrogen for organic electroluminescence device L1CAM, CHRM1, FOXM1 AKT1 1494/4885AVPR1A 2232/4885KDM4E 1533/4885

“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.