SCHEMBL21213617

SCHEMBL21213617

c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2cccc3c2sc2ccccc23)nc2cccnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.38
PIK3CD O00329 8/20 0.38
PIK3CG P48736 8/20 0.38
ALOX5 P09917 1/20 0.33
MTOR P42345 2/20 0.31
CDK2 P24941 1/20 0.31
GSK3B P49841 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
ESR1 P03372 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
AGTR1 P30556 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
KMT2A Q03164 1/20 0.31
PIK3CB P42338 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
SCHEMBL21213585 0.88 ALOX5 (0.36) PIK3CDALOX5KDM4EMEN1ALDH1A1
SCHEMBL21213347 0.88 ALOX5 (0.33) PIK3CDALOX5PIK3CBHTR2CPRKDC
SCHEMBL21212904 0.87 ALOX5 (0.34) PIK3CAPIK3CDPIK3CGALOX5MTOR
SCHEMBL21212995 0.85 ALOX5 (0.38) PIK3CDALOX5KDM4EMEN1ALDH1A1
SCHEMBL21736271 0.84 HRH4 (0.36) PIK3CAPIK3CDPIK3CGALOX5MTOR
SCHEMBL21213365 0.84 PIK3CA (0.38) PIK3CAPIK3CDPIK3CGMTOR
SCHEMBL20669834 0.83 PIK3CA (0.36) PIK3CAPIK3CDPIK3CGCDK2GSK3B
SCHEMBL21717670 0.82 ALOX5 (0.34) ALOX5KDM4EMEN1ALDH1A1MAPT
SCHEMBL21735969 0.81 ALOX5 (0.35) PIK3CAPIK3CDPIK3CGALOX5MTOR
SCHEMBL21213163 0.80 ACP1 (0.40) PIK3CAPIK3CDPIK3CGMTORMEN1

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-11581496-B2 Benzocarbazole-based compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2023-02-14 US disclosed
US-20190237680-A1 BENZOCARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2019-08-01 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-20190237680-A1 BENZOCARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1B1, CYP2C9, CYP3A4 PIK3CA 4247/4885PIK3CD 3926/4885PIK3CG 4285/4885
US-11581496-B2 Benzocarbazole-based compound and organic light-emitting device comprising same CYP1B1, CYP2C9, CYP3A4 PIK3CA 4247/4885PIK3CD 3926/4885PIK3CG 4285/4885

“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.