SCHEMBL20776010

SCHEMBL20776010

c1ccc(-c2nc3ccccc3n2-c2ccc(-c3nc(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)nc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.49
ESR2 Q92731 3/20 0.49
GRIA1 P42261 1/20 0.43
CACNG8 Q8WXS5 1/20 0.43
CACNG2 Q9Y698 1/20 0.43
PTGS2 P35354 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
HSP90AA1 P07900 1/20 0.39
RECQL P46063 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALOX5 P09917 1/20 0.38
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 2/20 0.36
PRKACA P17612 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
SCHEMBL20776020 0.97 ESR1 (0.44) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL27427381 0.97 ESR1 (0.44) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL12349691 0.93 ESR1 (0.52) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL21891655 0.92 RECQL (0.44) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL15394336 0.91 ESR1 (0.50) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL21891659 0.90 ESR1 (0.49) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL1994838 0.90 ESR1 (0.48) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL19193778 0.89 ESR1 (0.40) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL22178416 0.89 RECQL (0.40) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL22178249 0.89 RECQL (0.40) ESR1ESR2GRIA1CACNG8CACNG2

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-10882850-B2 Organic compound with triazine and benzimidazole as core and application thereof in organic electroluminescent device JIANGSU SUNERA TECHNOLOGY CO., LTD (CN) 2021-01-05 US disclosed
US-20190071430-A1 Organic Compound with Triazine and Benzimidazole as Core and Application thereof in Organic Electroluminescent Device Jiangsu Sunera Technology Co.,Ltd (CN) 2019-03-07 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-20190071430-A1 Organic Compound with Triazine and Benzimidazole as Core and Application thereof in Organic Electroluminescent Device BRD4, BRD7, BRD3 ESR1 1110/4885ESR2 378/4885GRIA1 1223/4885
US-10882850-B2 Organic compound with triazine and benzimidazole as core and application thereof in organic electroluminescent device BRD4, BRD7, BRD3 ESR1 1110/4885ESR2 378/4885GRIA1 1223/4885

“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.