SCHEMBL21736061

SCHEMBL21736061

c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2ccc3c(ccc4ccccc43)c2)nc2c1sc1ccccc12

nearest known ligand 0.34

Predicted protein targets (top 20)

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
PIK3CA P42336 2/20 0.32
PRKCI P41743 1/20 0.31
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 1/20 0.30
TUBB2A Q13885 1/20 0.30
TUBB8 Q3ZCM7 1/20 0.30
TUBA3E Q6PEY2 1/20 0.30
TUBA1A Q71U36 1/20 0.30
TUBA1C Q9BQE3 1/20 0.30
TUBB6 Q9BUF5 1/20 0.30
TUBB2B Q9BVA1 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
SCHEMBL21735859 0.95 HTR2C (0.36) HTR2CTNKSTNKS2HRH4PIK3CA
SCHEMBL21736126 0.92 HTR2C (0.35) HTR2CTNKSTNKS2HRH4PIK3CA
SCHEMBL20669905 0.89 HTR2C (0.35) HTR2CTNKSTNKS2HRH4PIK3CA
SCHEMBL26748071 0.88 TUBB4A (0.33) PIK3CAPRKCITUBB4ATUBBTUBA3C
SCHEMBL24341597 0.88 LIMK1 (0.33) HTR2CTNKSTNKS2HRH4PIK3CA
SCHEMBL20670196 0.87 KDM4E (0.36) HTR2CTNKSTNKS2HRH4PIK3CA
SCHEMBL21735881 0.87 HTR2C (0.35) HTR2CTNKSTNKS2HRH4PIK3CA
SCHEMBL21736571 0.86 HTR2C (0.34) HTR2CTNKSTNKS2HRH4PIK3CA
SCHEMBL21736072 0.86 PRKCI (0.42) HTR2CTNKSTNKS2HRH4PIK3CA
SCHEMBL21736220 0.85 HTR2C (0.35) HTR2CTNKSTNKS2HRH4PIK3CA

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.