SCHEMBL21736571

SCHEMBL21736571

c1ccc2cc(-c3nc(-n4c5cc6ccccc6cc5c5c6ccccc6ccc54)c4sc5ccccc5c4n3)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.34
TNKS O95271 2/20 0.34
TNKS2 Q9H2K2 2/20 0.34
HRH4 Q9H3N8 2/20 0.33
MAPK9 P45984 1/20 0.32
MAPK14 Q16539 1/20 0.32
PIK3CA P42336 2/20 0.32
PRKCI P41743 2/20 0.32

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
SCHEMBL21736227 0.89 KDM4E (0.32) HTR2CTNKSTNKS2
SCHEMBL21735859 0.89 HTR2C (0.36) HTR2CTNKSTNKS2HRH4PIK3CA
SCHEMBL21736552 0.88 CYP1A2 (0.37) PIK3CAPRKCI
SCHEMBL21736192 0.86 TNKS (0.30) TNKSTNKS2
SCHEMBL21736061 0.86 HTR2C (0.34) HTR2CTNKSTNKS2HRH4PIK3CA
SCHEMBL21736115 0.84 HRH4 (0.32) HTR2CHRH4PIK3CA
SCHEMBL21085650 0.84 HRH4 (0.32) HTR2CTNKSTNKS2HRH4
SCHEMBL19161645 0.83 HRH4 (0.32) HRH4MAPK9MAPK14
SCHEMBL19162598 0.83 HRH4 (0.32) HTR2CHRH4MAPK9MAPK14PIK3CA
SCHEMBL20035298 0.82 HRH4 (0.33) HTR2CHRH4

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 HTR2C 2226/4885TNKS 4298/4885TNKS2 4286/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 HTR2C 2226/4885TNKS 4298/4885TNKS2 4286/4885

“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.