SCHEMBL19604459

SCHEMBL19604459

COC(O)c1cccc2cc(O)ccc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.41
CYP1A2 P05177 1/20 0.38
ESR1 P03372 5/20 0.38
ESR2 Q92731 5/20 0.38
POLB P06746 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
MCL1 Q07820 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 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
SCHEMBL30487941 0.81 TLR8 (0.44) TLR8CYP1A2ESR1ESR2HSD17B1
SCHEMBL30487951 0.81 TLR8 (0.44) TLR8CYP1A2ESR1ESR2HSD17B1
SCHEMBL5608955 0.80 ALDH1A1 (0.50) CYP1A2SLC6A4
SCHEMBL4305920 0.79 CYP1A2 (0.48) TLR8CYP1A2ESR1ESR2HSD17B1
SCHEMBL8559405 0.75 MT-CO2 (0.44) TLR8POLBCLK1DYRK1ADYRK1B
SCHEMBL21500880 0.75 ESR1 (0.33) TLR8CYP1A2ESR1ESR2HSD17B1
SCHEMBL27904877 0.73 CLK1 (0.44) TLR8CYP1A2ESR1ESR2POLB
SCHEMBL10224689 0.73 TSHR (0.50) TLR8CYP1A2ESR1ESR2HSD17B1
SCHEMBL28325207 0.72 AKR1B1 (0.46) TLR8CLK1DYRK1ADYRK1B
SCHEMBL3163561 0.72 KDM4E (0.51) TLR8CYP1A2ESR1ESR2POLB

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-10221181-B2 6-amino-7-bicyclo-7-deaza-purine derivatives as protein kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2019-03-05 US disclosed
US-20170327506-A1 6-AMINO-7-BICYCLO-7-DEAZA-PURINE DERIVATIVES AS PROTEIN KINASE INHIBITORS NERVIANO MEICAL SCIENCES S.r.l. (IT) 2017-11-16 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-20170327506-A1 6-AMINO-7-BICYCLO-7-DEAZA-PURINE DERIVATIVES AS PROTEIN KINASE INHIBITORS DCK, RET, ADK TLR8 2048/4885CYP1A2 4682/4885ESR1 2928/4885
US-10221181-B2 6-amino-7-bicyclo-7-deaza-purine derivatives as protein kinase inhibitors DCK, RET, PRKCA TLR8 2386/4885CYP1A2 4440/4885ESR1 3090/4885

“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.