SCHEMBL20248887

SCHEMBL20248887

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc5c(-c6ccccc6)c6sc(-c7cccc(-c8scc9ccccc89)c7)cc6c(-c6ccccc6)c5s4)c3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ CYP1A1 P04798 2/20 0.38
▸ CYP1B1 Q16678 2/20 0.38
▸ PRKCI P41743 5/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ GGPS1 O95749 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ PTP4A3 O75365 1/20 0.32
▸ PTP4A2 Q12974 1/20 0.32
▸ PTP4A1 Q93096 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HSD17B1 P14061 2/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ MAPT P10636 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
SCHEMBL20248871 0.86 ADORA2A (0.51) ADORA2AADORA1CYP1A1CYP1B1PRKCI
SCHEMBL20248889 0.86 CYP1A1 (0.38) ADORA2AADORA1CYP1A1CYP1B1CYP1A2
SCHEMBL20248870 0.83 ADORA2A (0.49) ADORA2AADORA1CYP1A1CYP1B1PRKCI
SCHEMBL20248885 0.82 CYP1A1 (0.40) ADORA2AADORA1CYP1A1CYP1B1CYP1A2
SCHEMBL20248874 0.80 ADORA2A (0.54) ADORA2AADORA1CYP1A1CYP1B1PRKCI
SCHEMBL20248868 0.80 ADORA2A (0.44) ADORA2AADORA1CYP1A1CYP1B1PRKCI
SCHEMBL20248869 0.78 ADORA2A (0.42) ADORA2AADORA1CYP1A1CYP1B1PRKCI
SCHEMBL20248900 0.77 ADORA2A (0.48) ADORA2AADORA1CYP1A1CYP1B1GGPS1
SCHEMBL20248883 0.75 CYP1A1 (0.35) CYP1A1CYP1B1ESR1ESR2
SCHEMBL20248872 0.75 ADORA2A (0.46) ADORA2AADORA1CYP1A1CYP1B1PRKCI

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-10347846-B2 Organic compound for organic EL device and using the same LUMINESCENCE TECHNOLOGY CORP. (TW) 2019-07-09 — — US disclosed
US-20180166640-A1 ORGANIC COMPOUND FOR ORGANIC EL DEVICE AND USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2018-06-14 — — US disclosed
US-20180166640-A1 ORGANIC COMPOUND FOR ORGANIC EL DEVICE AND USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2018-06-14 — — 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-10347846-B2 Organic compound for organic EL device and using the same L1CAM, ESR1, XPO4 ADORA2A 2256/4885ADORA1 912/4885CYP1A1 123/4885
US-20180166640-A1 ORGANIC COMPOUND FOR ORGANIC EL DEVICE AND USING THE SAME L1CAM, ESR1, XPO4 ADORA2A 2256/4885ADORA1 912/4885CYP1A1 123/4885

“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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