SCHEMBL21046108

SCHEMBL21046108

c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cnccc3-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 3/20 0.41
▸ RPS6KA3 P51812 3/20 0.41
▸ CYP46A1 Q9Y6A2 1/20 0.39
▸ MAPK10 P53779 1/20 0.38
▸ TNF P01375 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NR3C1 P04150 1/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ ALK Q9UM73 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ IMPDH2 P12268 1/20 0.35
▸ HASPIN Q8TF76 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ AOC3 Q16853 1/20 0.34

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
SCHEMBL17952856 0.91 PIK3CA (0.46) PIK3CARPS6KA3CYP46A1MAPK10TNF
SCHEMBL17952768 0.91 PIK3CA (0.46) PIK3CARPS6KA3CYP46A1MAPK10TNF
SCHEMBL20771584 0.91 RPS6KA3 (0.40) RPS6KA3CYP46A1TNFMEN1HSP90AA1
SCHEMBL30709174 0.91 RPS6KA3 (0.40) RPS6KA3CYP46A1TNFMEN1HSP90AA1
SCHEMBL26931253 0.86 NR3C1 (0.37) PIK3CAMEN1HSP90AA1MAPTKMT2A
SCHEMBL22126298 0.86 NR3C1 (0.37) PIK3CAMEN1HSP90AA1MAPTKMT2A
SCHEMBL22126360 0.86 RPS6KA3 (0.40) RPS6KA3CYP46A1TNFMEN1HSP90AA1
SCHEMBL30709204 0.86 RPS6KA3 (0.40) RPS6KA3CYP46A1TNFMEN1HSP90AA1
SCHEMBL21763739 0.85 NR3C1 (0.42) MEN1HSP90AA1MAPTKMT2ANR3C1
SCHEMBL21365764 0.85 NR3C1 (0.42) MEN1HSP90AA1MAPTKMT2ANR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11849634-B2 Composition of matter for use in organic light- emitting diodes KYULUX, INC. (JP) 2023-12-19 — — US disclosed
US-20200203622-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX, INC. (JP) 2020-06-25 — — US disclosed
CN-111051471-A Composition for use in organic light emitting diodes 九州有机光材股份有限公司 2020-04-21 — — CN disclosed
US-20190173017-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-06-06 — — 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 (3 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-20190173017-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, ALDH1A2, CYBA PIK3CA 3066/4885RPS6KA3 2729/4885CYP46A1 2349/4885
US-20200203622-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES NDUFV3, NDUFV2, CRY2 PIK3CA 2934/4885RPS6KA3 3096/4885CYP46A1 1965/4885
US-11849634-B2 Composition of matter for use in organic light- emitting diodes NDUFV3, NDUFV2, CRY2 PIK3CA 2934/4885RPS6KA3 3096/4885CYP46A1 1965/4885

“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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