SCHEMBL21924883

SCHEMBL21924883

c1ccc(-c2ccc(-c3nc4cc(-c5ccccc5)ccc4nc3-n3c4ccc(-c5ccc6ccccc6c5)cc4c4cc5ccccc5cc43)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.40
PIK3R1 P27986 1/20 0.40
SRC P12931 1/20 0.39
PIK3CD O00329 2/20 0.36
MTOR P42345 2/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATM Q13315 1/20 0.36
TLR9 Q9NR96 1/20 0.36
DHODH Q02127 2/20 0.35
BACE1 P56817 1/20 0.35
ADORA2A P29274 3/20 0.35
ADORA1 P30542 3/20 0.35
CASP1 P29466 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HRH4 Q9H3N8 1/20 0.34

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
SCHEMBL21923700 0.95 CASP1 (0.39) PIK3CASRCPIK3CDMTORPIK3CB
SCHEMBL21924440 0.93 ESR1 (0.37) PIK3CASRCPIK3CDMTORPIK3CB
SCHEMBL21923654 0.93 ESR1 (0.36) PIK3CASRCPIK3CDMTORPIK3CB
SCHEMBL21213484 0.92 PIK3R1 (0.39) PIK3CAPIK3R1SRCALDH1A1KDM4E
SCHEMBL21924445 0.92 CASP1 (0.41) PIK3CAPIK3R1PIK3CDMTORPIK3CB
SCHEMBL21923585 0.91 ADORA2A (0.38) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL21923586 0.91 ADORA2A (0.38) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL21923809 0.91 ADORA2A (0.36) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL21213548 0.91 PIK3R1 (0.41) PIK3CAPIK3R1ALDH1A1KDM4EKMT2A
SCHEMBL21213485 0.91 PIK3R1 (0.41) PIK3CAPIK3R1ALDH1A1KDM4EKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200136058-A1 BENZOCARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-04-30 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 (1 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-20200136058-A1 BENZOCARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1B1, CYP2C9, CYP1A1 PIK3CA 4452/4885PIK3R1 4607/4885SRC 3246/4885

“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.