SCHEMBL21736115

SCHEMBL21736115

c1ccc2cc3c(cc2c1)c1c2ccccc2ccc1n3-c1nc(-c2cccc3oc4ccccc4c23)nc2c1sc1ccccc12

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.32
HTR2C P28335 1/20 0.31
PIK3CA P42336 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
SCHEMBL21736437 0.91 HRH4 (0.31) HRH4HTR2CPIK3CA
SCHEMBL21736484 0.90 HRH4 (0.33) HRH4HTR2CPIK3CA
SCHEMBL25973249 0.85 LIMK1 (0.31)
SCHEMBL21736571 0.84 HTR2C (0.34) HRH4HTR2CPIK3CA
SCHEMBL20669959 0.84
SCHEMBL25972969 0.84 HTR2C (0.31) HTR2CPIK3CA
SCHEMBL21736574 0.83 TDP1 (0.30)
SCHEMBL25051175 0.81 PRKDC (0.31) PIK3CA
SCHEMBL21736482 0.80 HRH4 (0.33) HRH4HTR2CPIK3CA
SCHEMBL25051330 0.80 BRDT (0.30)

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 HRH4 2716/4885HTR2C 2226/4885PIK3CA 4634/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 HRH4 2716/4885HTR2C 2226/4885PIK3CA 4634/4885

“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.