SCHEMBL21135307

SCHEMBL21135307

c1ccc(-c2c3ncccc3n3c4ccccc4n(-c4ccccc4-c4nnc(-c5ccccc5)n4-c4ccccc4)c23)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 13/20 0.42
SIRT2 Q8IXJ6 1/20 0.37
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
AVPR1A P37288 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL21135309 0.73 AKT1 (0.40) AKT1HPGDSMN1; SMN2ADORA2BADORA1
SCHEMBL10111060 0.72 KDM4E (0.49) AKT1HPGDSMN1; SMN2AVPR1AKDM4E
SCHEMBL21135049 0.72 TYMS (0.42) AKT1HPGDSMN1; SMN2ADORA2BADORA1
SCHEMBL21135048 0.69 ESR1 (0.55) AKT1HPGDSMN1; SMN2AVPR1AKDM4E
SCHEMBL21134993 0.68 ESR1 (0.56) AKT1HPGDAVPR1AKDM4EALDH1A1
SCHEMBL21135039 0.68 HTT (0.51) AKT1HPGDSMN1; SMN2AVPR1AKDM4E
SCHEMBL21135084 0.68 ESR1 (0.49) AKT1AVPR1AKDM4EALDH1A1TSHR
SCHEMBL21135046 0.68 AKT1 (0.46) AKT1HPGDSMN1; SMN2AVPR1AKDM4E
SCHEMBL10111099 0.68 P2RX7 (0.43) AKT1SIRT2HPGDSMN1; SMN2AVPR1A
SCHEMBL17069885 0.67 AVPR1A (0.59) 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 1494/4885SIRT2 1432/4885HPGD 3402/4885
US-10818850-B2 Organic electroluminescence device and compound including nitrogen for organic electroluminescence device L1CAM, CHRM1, FOXM1 AKT1 1494/4885SIRT2 1432/4885HPGD 3402/4885

“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.