SCHEMBL23081237

SCHEMBL23081237

N#Cc1cccc(-c2c3cc4c(cc3c(-c3cccc(C#N)c3)c3c5cccc6cccc(c23)c65)c2cccc3cccc4c32)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 4/20 0.42
MEN1 O00255 4/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 4/20 0.42
KMT2A Q03164 4/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C19 P33261 3/20 0.42
LMNA P02545 3/20 0.42
HSD17B10 Q99714 3/20 0.42
CYP2D6 P10635 2/20 0.42
TSHR P16473 2/20 0.42
CYP2C9 P11712 1/20 0.42
ADORA2A P29274 2/20 0.42
MAPK1 P28482 2/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL22823937 0.92 CYP1A2 (0.40) CLK4MEN1ALDH1A1CYP1A2KMT2A
SCHEMBL23081541 0.89 CA1 (0.35) CLK4MEN1ALDH1A1CYP1A2KMT2A
SCHEMBL23348952 0.89 CYP1A2 (0.41) CLK4MEN1ALDH1A1CYP1A2KMT2A
SCHEMBL17490269 0.88 CYP1A2 (0.41) CLK4MEN1ALDH1A1CYP1A2KMT2A
SCHEMBL17490270 0.88 CYP1A2 (0.41) CLK4MEN1ALDH1A1CYP1A2KMT2A
SCHEMBL23081547 0.86 CA1 (0.38) MEN1ALDH1A1CYP1A2KMT2AHSD17B10
SCHEMBL14680439 0.84 CA1 (0.36) MEN1ALDH1A1CYP1A2KMT2AHSD17B10
SCHEMBL15960555 0.79 CA1 (0.39) CLK4MEN1ALDH1A1CYP1A2KMT2A
SCHEMBL22823946 0.79 CA1 (0.36) ALDH1A1CYP1A2LMNAHSD17B10KDM4E
SCHEMBL4979724 0.79 ALDH1A1 (0.45) MEN1ALDH1A1CYP1A2KMT2ACYP3A4

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-20210070677-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY APPARATUS, PHOTOELECTRIC CONVERSION APPARATUS, ELECTRONIC APPARATUS, LIGHTING APPARATUS, MOVING OBJECT, AND EXPOSURE LIGHT SOURCE CANON KABUSHIKI KAISHA (JP) 2021-03-11 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-20210070677-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY APPARATUS, PHOTOELECTRIC CONVERSION APPARATUS, ELECTRONIC APPARATUS, LIGHTING APPARATUS, MOVING OBJECT, AND EXPOSURE LIGHT SOURCE CYP1A1, AOX1, CYP1B1 CLK4 3639/4885MEN1 1946/4885ALDH1A1 52/4885

“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.