SCHEMBL21481187

SCHEMBL21481187

Cn1cnc2c3cc(-c4ccc5c6ccccc6c6ncoc6c5c4)ccc3c3ccccc3c21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.35
CHUK O15111 6/20 0.35
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
LIMK1 P53667 1/20 0.32
ACVR1 Q04771 1/20 0.32
CDK2 P24941 1/20 0.31
BTK Q06187 1/20 0.31
ITK Q08881 1/20 0.31
IKBKE Q14164 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
SCHEMBL21157964 0.95 PDE4A (0.36) IKBKBCHUKPDE4APDE4BPDE4C
SCHEMBL21759625 0.84 PDE4A (0.37) IKBKBCHUKPDE4APDE4BPDE4C
SCHEMBL21390275 0.77 LIMK1 (0.44) IKBKBCHUKPDE4APDE4BPDE4C
SCHEMBL20127221 0.77 PDE4D (0.48) IKBKBCHUKPDE4APDE4BPDE4C
SCHEMBL21390270 0.70 CSNK2A1 (0.30)
SCHEMBL5477037 0.70 SMN1; SMN2 (0.36) LIMK1
SCHEMBL25760437 0.70 IKBKB (0.40) IKBKBCHUKPDE4APDE4BPDE4C
SCHEMBL18012098 0.63 PDE4A (0.55) IKBKBCHUKPDE4APDE4BPDE4C
SCHEMBL17231478 0.62 DYRK1A (0.59) ACVR1
SCHEMBL25760406 0.62 IKBKB (0.37) IKBKBCHUKPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250112-A1 ORGANIC COMPOUNDS AND APPLICATIONS THEREOF IN OPTOELECTRONIC FIELD Zhejiang Brilliant Optoelectronic Technology Co.,Ltd. (CN) 2023-08-10 US disclosed
US-11672174-B2 Pyrene-triazine derivative and applications thereof in organic electronic component GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2023-06-06 US disclosed
US-11161933-B2 Conjugated polymer and use thereof in organic electronic device GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2021-11-02 US disclosed
US-10804470-B2 Organic compound GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD (CN) 2020-10-13 US disclosed
US-20190355909-A1 ORGANIC COMPOUND GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-11-21 US disclosed
US-20190334093-A1 PYRENE-TRIAZINE DERIVATIVE AND APPLICATIONS THEREOF IN ORGANIC ELECTRONIC COMPONENT GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-10-31 US disclosed
US-20190319197-A1 ORGANIC COMPOUND, APPLICATIONS THEREOF, ORGANIC MIXTURE, AND ORGANIC ELECTRONIC DEVICE GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-10-17 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 (5 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-11161933-B2 Conjugated polymer and use thereof in organic electronic device PCBP1, PITPNB, ETFB IKBKB 4093/4885CHUK 4664/4885PDE4A 4327/4885
US-20230250112-A1 ORGANIC COMPOUNDS AND APPLICATIONS THEREOF IN OPTOELECTRONIC FIELD AOX1, AOC2, OR10J3 IKBKB 3525/4885CHUK 3363/4885PDE4A 4336/4885
US-20190334093-A1 PYRENE-TRIAZINE DERIVATIVE AND APPLICATIONS THEREOF IN ORGANIC ELECTRONIC COMPONENT TPR, TRPC5, TRPC4 IKBKB 3653/4885CHUK 2320/4885PDE4A 4719/4885
US-11672174-B2 Pyrene-triazine derivative and applications thereof in organic electronic component TPR, TRPC5, TRPC4 IKBKB 3653/4885CHUK 2320/4885PDE4A 4719/4885
US-20190319197-A1 ORGANIC COMPOUND, APPLICATIONS THEREOF, ORGANIC MIXTURE, AND ORGANIC ELECTRONIC DEVICE PIEZO1, OR10J3, OR51E2 IKBKB 4581/4885CHUK 3842/4885PDE4A 4755/4885

“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.