SCHEMBL23944686

SCHEMBL23944686

COc1cc2cnccc2cc1-c1c(N)cccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.42
HSP90AB1 P08238 2/20 0.42
MAOA P21397 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
IKBKB O14920 2/20 0.38
WEE1 P30291 1/20 0.37
LMNA P02545 1/20 0.37
EGFR P00533 6/20 0.36
FGFR1 P11362 6/20 0.36
SRC P12931 3/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
FGFR3 P22607 1/20 0.36
ALK Q9UM73 1/20 0.36

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
SCHEMBL23944608 1.00 HSP90AA1 (0.42) HSP90AA1HSP90AB1MAOACYP1A2CYP3A4
SCHEMBL23944626 0.78 MAOA (0.37) MAOACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL23944609 0.78 MAOA (0.37) MAOACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL23944919 0.78 PDGFRB (0.55) HSP90AA1HSP90AB1EGFRFGFR1SRC
SCHEMBL23944928 0.78 PDGFRB (0.55) HSP90AA1HSP90AB1CYP3A4CYP2C9CYP2C19
SCHEMBL23943886 0.76 TLR8 (0.41) HSP90AA1HSP90AB1CYP11B1CYP11B2
SCHEMBL28122833 0.75 MAOA (0.51) MAOACYP3A4LMNAALKMELK
SCHEMBL1271246 0.72 MAOA (0.59) MAOACYP3A4IKBKBMELK
SCHEMBL3892970 0.72 IKBKB (0.56) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2
SCHEMBL23944921 0.71 TLR8 (0.41) HSP90AA1HSP90AB1MAOA

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-20220402928-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2022-12-22 US disclosed
WO-2021210910-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-10-21 WO 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-20220402928-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CCNL2, CRY1, CRY2 HSP90AA1 4312/4885HSP90AB1 4383/4885MAOA 1244/4885

“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.