SCHEMBL21923586

SCHEMBL21923586

c1ccc(-c2ccc(-c3ccc4c(c3)c3cc5ccccc5cc3n4-c3nc4cc(-c5ccc6ccccc6c5)c(-c5ccccc5)cc4nc3-c3ccc(-c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.38
ADORA1 P30542 4/20 0.38
ADORA2B P29275 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DHODH Q02127 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
CYP17A1 P05093 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ESR1 P03372 3/20 0.32

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
SCHEMBL21923589 1.00 ADORA2A (0.38) ADORA2AADORA1ADORA2BPIK3CDPIK3CA
SCHEMBL21923585 1.00 ADORA2A (0.38) ADORA2AADORA1ADORA2BPIK3CDPIK3CA
SCHEMBL21923601 0.98 ADORA2A (0.35) ADORA2AADORA1PIK3CAKDM4EDHODH
SCHEMBL21923809 0.98 ADORA2A (0.36) ADORA2AADORA1PIK3CDPIK3CAPIK3CB
SCHEMBL21923781 0.95 KDM4E (0.35) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL21923592 0.95 ADORA2A (0.36) ADORA2AADORA1PIK3CDPIK3CAPIK3CB
SCHEMBL21213446 0.93 ADORA2A (0.38) ADORA2AADORA1ADORA2BKDM4ELMNA
SCHEMBL21213693 0.93 ADORA2A (0.38) ADORA2AADORA1ADORA2BKDM4ELMNA
SCHEMBL21213448 0.92 ADORA2A (0.38) ADORA2AADORA1KDM4ELMNASMN1; SMN2
SCHEMBL21213694 0.92 ADORA2A (0.38) ADORA2AADORA1KDM4ELMNASMN1; SMN2

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 ADORA2A 4431/4885ADORA1 2648/4885ADORA2B 3287/4885

“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.