SCHEMBL21736026

SCHEMBL21736026

CC1(C)c2ccccc2-c2nc(-n3c4ccccc4c4cc5ccccc5cc43)c(-c3ccc4cccnc4c3)nc21

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.33
AKT1 P31749 1/20 0.30
HTR6 P50406 1/20 0.30

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
SCHEMBL21736094 0.91 KDM5B (0.31) KDM5B
SCHEMBL20669757 0.90 KDM5B (0.32) KDM5BHTR6
SCHEMBL21736517 0.87 TUBB4A (0.33)
SCHEMBL21735891 0.87 TUBB4A (0.30)
SCHEMBL21736531 0.86 NPY5R (0.36)
SCHEMBL21735944 0.86 TUBB4A (0.31)
SCHEMBL21735950 0.86
SCHEMBL20670149 0.86 TUBB4A (0.36) AKT1
SCHEMBL21735858 0.86 NPY5R (0.33)
SCHEMBL21736022 0.84 TUBB4A (0.31)

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-11530225-B2 Compound and organic light-emitting diode comprising same LG CHEM, LTD. (KR) 2022-12-20 US disclosed
EP-3553049-B1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME LG CHEMICAL LTD (KR) 2022-01-19 EP 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 KDM5B 1588/4885AKT1 4414/4885HTR6 2312/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 KDM5B 1588/4885AKT1 4414/4885HTR6 2312/4885

“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.