SCHEMBL21736072

SCHEMBL21736072

c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2ccc(-c3ccncc3)cc2)nc2c1sc1ccccc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 12/20 0.42
PIK3CA P42336 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
HTR2C P28335 1/20 0.34
TNKS O95271 2/20 0.34
TNKS2 Q9H2K2 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
LIMK1 P53667 1/20 0.33

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
SCHEMBL21736067 0.89 PRKCI (0.39) PRKCIPIK3CAMEN1USP2TSHR
SCHEMBL21735859 0.89 HTR2C (0.36) PRKCIPIK3CAHRH4HTR2CTNKS
SCHEMBL21736126 0.88 HTR2C (0.35) PRKCIPIK3CAHRH4HTR2CTNKS
SCHEMBL21736036 0.87 GBA1 (0.39) PRKCIPIK3CAMEN1USP2TSHR
SCHEMBL17030461 0.87 PRKCI (0.41) PRKCIPIK3CAHRH4HTR2CMEN1
SCHEMBL20669905 0.87 HTR2C (0.35) PRKCIPIK3CAHRH4HTR2CTNKS
SCHEMBL21735881 0.87 HTR2C (0.35) PRKCIPIK3CAHRH4HTR2CTNKS
SCHEMBL21736061 0.86 HTR2C (0.34) PRKCIPIK3CAHRH4HTR2CTNKS
SCHEMBL20670196 0.85 KDM4E (0.36) PRKCIPIK3CAHRH4HTR2CTNKS
SCHEMBL17030451 0.84 PIK3CA (0.39) PRKCIPIK3CAHRH4HTR2CTNKS

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 PRKCI 4614/4885PIK3CA 4634/4885HRH4 2716/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 PRKCI 4614/4885PIK3CA 4634/4885HRH4 2716/4885

“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.