SCHEMBL20328426

SCHEMBL20328426

c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccc5c(ccc6ccsc65)c4s3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.38
▸ ADORA1 P30542 4/20 0.37
▸ CYP1A1 P04798 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.37
▸ PDE4A P27815 2/20 0.36
▸ PDE4B Q07343 2/20 0.36
▸ PDE4C Q08493 2/20 0.36
▸ PDE4D Q08499 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ PRKCI P41743 2/20 0.32
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ GGPS1 O95749 1/20 0.31
▸ FDPS P14324 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL20328433 0.97 ADORA2A (0.37) ADORA2AADORA1CYP1A1CYP1B1PDE4A
SCHEMBL20328432 0.97 ADORA2A (0.37) ADORA2AADORA1CYP1A1CYP1B1PDE4A
SCHEMBL20328435 0.91 ADORA2A (0.40) ADORA2AADORA1CYP1A1CYP1B1PDE4A
SCHEMBL20328430 0.89 CYP1A1 (0.39) ADORA2AADORA1CYP1A1CYP1B1PDE4A
SCHEMBL20328448 0.88 ADORA2A (0.41) ADORA2AADORA1CYP1A1CYP1B1PDE4A
SCHEMBL20328447 0.87 MEN1 (0.42) ADORA2AADORA1CYP1A1CYP1B1MAPT
SCHEMBL12279083 0.85 CYP1A1 (0.47) ADORA2AADORA1CYP1A1CYP1B1MAPT
SCHEMBL20328475 0.85 CYP11B1 (0.38) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL20328455 0.85 NPC1 (0.39) ADORA2AADORA1CYP1A1CYP1B1MAPT
SCHEMBL20328434 0.85 LIMK1 (0.34) PDE4APDE4BPDE4CPDE4DPRKCI

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10418567-B2 Organic compound for organic EL device and using the same LUMINESCENCE TECHNOLOGY CORP. (TW) 2019-09-17 — — US disclosed
US-20180182978-A1 ORGANIC COMPOUND FOR ORGANIC EL DEVICE AND USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2018-06-28 — — US disclosed
US-20180182978-A1 ORGANIC COMPOUND FOR ORGANIC EL DEVICE AND USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2018-06-28 — — 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-10418567-B2 Organic compound for organic EL device and using the same EML4, LEF1, ELOB ADORA2A 4426/4885ADORA1 3339/4885CYP1A1 229/4885
US-20180182978-A1 ORGANIC COMPOUND FOR ORGANIC EL DEVICE AND USING THE SAME EML4, LEF1, ELOB ADORA2A 4426/4885ADORA1 3339/4885CYP1A1 229/4885

“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.

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