SCHEMBL21135309

SCHEMBL21135309

c1ccc(-c2ncn3c4ccccc4n(-c4ccccc4-c4nnc(-c5ccccc5)n4-c4ccccc4)c23)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.40
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AVPR1A P37288 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 3/20 0.38
TSHR P16473 1/20 0.38
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
HDAC6 Q9UBN7 1/20 0.33
MAPT P10636 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL10111060 0.76 KDM4E (0.49) AKT1HPGDSMN1; SMN2AVPR1AKDM4E
SCHEMBL21135009 0.76 AKT1 (0.43) AKT1HPGDSMN1; SMN2AVPR1AKDM4E
SCHEMBL21135307 0.73 AKT1 (0.42) AKT1HPGDSMN1; SMN2AVPR1AKDM4E
SCHEMBL21135039 0.73 HTT (0.51) AKT1HPGDSMN1; SMN2AVPR1AKDM4E
SCHEMBL21135048 0.73 ESR1 (0.55) AKT1HPGDSMN1; SMN2AVPR1AKDM4E
SCHEMBL21134993 0.71 ESR1 (0.56) AKT1HPGDAVPR1AKDM4EALDH1A1
SCHEMBL21135049 0.71 TYMS (0.42) AKT1HPGDSMN1; SMN2AVPR1AKDM4E
SCHEMBL17023639 0.70 AVPR1A (0.59) AKT1HPGDSMN1; SMN2AVPR1AKDM4E
SCHEMBL17069885 0.70 AVPR1A (0.59) AKT1HPGDSMN1; SMN2AVPR1AKDM4E
SCHEMBL17954875 0.70 AKT1 (0.50) AKT1HPGDSMN1; SMN2AVPR1AKDM4E

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 1494/4885HPGD 3402/4885SMN1; SMN2 1882/4885
US-10818850-B2 Organic electroluminescence device and compound including nitrogen for organic electroluminescence device L1CAM, CHRM1, FOXM1 AKT1 1494/4885HPGD 3402/4885SMN1; SMN2 1882/4885

“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.