SCHEMBL21135009

SCHEMBL21135009

c1ccc(-c2ncn(-c3ccccc3-c3nnc(-c4ccccc4)n3-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
AVPR1A P37288 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
MITF O75030 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
FAAH O00519 4/20 0.38
MAPK13 O15264 2/20 0.37
MAPK12 P53778 2/20 0.37
MAPK11 Q15759 2/20 0.37
MAPK14 Q16539 2/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
HSD11B1 P28845 1/20 0.37
NSD3 Q9BZ95 1/20 0.36

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
SCHEMBL21135039 0.82 HTT (0.51) AKT1SMN1; SMN2HPGDAVPR1AALDH1A1
SCHEMBL21135046 0.79 AKT1 (0.46) AKT1SMN1; SMN2HPGDAVPR1AALDH1A1
SCHEMBL21135038 0.76 HTT (0.57) ALDH1A1TSHRHTT
SCHEMBL21135309 0.76 AKT1 (0.40) AKT1SMN1; SMN2HPGDAVPR1AALDH1A1
SCHEMBL17023639 0.74 AVPR1A (0.59) AKT1SMN1; SMN2HPGDAVPR1AALDH1A1
SCHEMBL17069885 0.74 AVPR1A (0.59) AKT1SMN1; SMN2HPGDAVPR1AALDH1A1
SCHEMBL5720398 0.74 FAAH (0.56) SMN1; SMN2ALDH1A1TSHRMITFLMNA
SCHEMBL17954875 0.74 AKT1 (0.50) AKT1SMN1; SMN2HPGDAVPR1AALDH1A1
SCHEMBL21135308 0.73 AVPR1A (0.46) AKT1SMN1; SMN2HPGDAVPR1AALDH1A1
SCHEMBL18327898 0.72 AVPR1A (0.70) SMN1; SMN2HPGDAVPR1AALDH1A1KDM4E

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