SCHEMBL21736058

SCHEMBL21736058

c1ccc2cc(-c3nc(-c4ccc5cc(-n6c7ccccc7c7cc8ccccc8cc76)ccc5c4)nc4sc5ccccc5c34)ccc2c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PMM2 O15305 1/20 0.32
▸ MPI P34949 1/20 0.32
▸ PHOSPHO1 Q8TCT1 1/20 0.32
▸ TUBB4A P04350 1/20 0.31
▸ TUBB P07437 1/20 0.31
▸ TUBA3C P0DPH7 1/20 0.31
▸ TUBA1B P68363 1/20 0.31
▸ TUBA4A P68366 1/20 0.31
▸ TUBB4B P68371 1/20 0.31
▸ TUBB3 Q13509 1/20 0.31
▸ TUBB2A Q13885 1/20 0.31
▸ TUBB8 Q3ZCM7 1/20 0.31
▸ TUBA3E Q6PEY2 1/20 0.31
▸ TUBA1A Q71U36 1/20 0.31
▸ TUBA1C Q9BQE3 1/20 0.31
▸ TUBB6 Q9BUF5 1/20 0.31
▸ TUBB2B Q9BVA1 1/20 0.31
▸ TUBB1 Q9H4B7 1/20 0.31
▸ RPA1 P27694 1/20 0.31
▸ MAPK9 P45984 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
SCHEMBL21736360 0.88 KDM4E (0.35) —
SCHEMBL21736326 0.85 — —
SCHEMBL21736408 0.85 CHEK2 (0.30) —
SCHEMBL21736050 0.85 TUBB4A (0.36) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21736512 0.84 KDM4E (0.30) —
SCHEMBL16905639 0.83 KDM4E (0.36) —
SCHEMBL16905851 0.82 KDM4E (0.37) —
SCHEMBL16905630 0.82 KDM4E (0.37) —
SCHEMBL16905637 0.82 ATM (0.38) ADKHPGD
SCHEMBL16905750 0.82 KDM4E (0.35) HPGD

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-11530225-B2 Compound and organic light-emitting diode comprising same LG CHEM, LTD. (KR) 2022-12-20 — — US disclosed
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-20 — — 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-11530225-B2 Compound and organic light-emitting diode comprising same CRY1, CRY2, TRPA1 PMM2 4125/4885MPI 4089/4885PHOSPHO1 3787/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 PMM2 4125/4885MPI 4089/4885PHOSPHO1 3787/4885

“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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