SCHEMBL21736271

SCHEMBL21736271

c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2cccc3c2sc2ccccc23)nc2c1sc1ccccc12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.36
ALOX5 P09917 1/20 0.36
HTR2C P28335 1/20 0.35
PIK3CA P42336 3/20 0.33
PRKDC P78527 5/20 0.32
PIK3CD O00329 3/20 0.32
PIK3CB P42338 3/20 0.32
PARP14 Q460N5 1/20 0.32
TNKS O95271 2/20 0.31
TNKS2 Q9H2K2 2/20 0.31
PIK3CG P48736 2/20 0.31
MAPT P10636 1/20 0.31
BRD4 O60885 1/20 0.31
MTOR P42345 1/20 0.31
KCNH2 Q12809 1/20 0.31
BRDT Q58F21 1/20 0.31
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
KRAS P01116 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
SCHEMBL21736269 0.90 HRH4 (0.35) HRH4HTR2CPIK3CAPIK3CDPIK3CB
SCHEMBL20669834 0.88 PIK3CA (0.36) HRH4HTR2CPIK3CAPIK3CDPIK3CB
SCHEMBL21213585 0.87 ALOX5 (0.36) ALOX5PRKDCPIK3CDPIK3CBPARP14
SCHEMBL21736007 0.86 KDM4E (0.34) HRH4HTR2CPIK3CAMAPT
SCHEMBL21736484 0.86 HRH4 (0.33) HRH4HTR2CPIK3CAPIK3CDPIK3CB
SCHEMBL21735969 0.85 ALOX5 (0.35) ALOX5PIK3CAPRKDCPIK3CDPIK3CB
SCHEMBL21736482 0.85 HRH4 (0.33) HRH4ALOX5HTR2CPIK3CAPRKDC
SCHEMBL21735881 0.84 HTR2C (0.35) HRH4HTR2CPIK3CATNKSTNKS2
SCHEMBL20669905 0.84 HTR2C (0.35) HRH4HTR2CPIK3CATNKSTNKS2
SCHEMBL21212995 0.84 ALOX5 (0.38) ALOX5PRKDCPIK3CDPIK3CBPARP14

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 2716/4885ALOX5 599/4885HTR2C 2226/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 HRH4 2716/4885ALOX5 599/4885HTR2C 2226/4885

“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.