SCHEMBL24601626

SCHEMBL24601626

N#Cc1ccc2c(c1)c1c3c4ccc(C#N)cc4n4c5ccc(C#N)cc5c(c5c6ccc(C#N)cc6n2c15)c34

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
TSHR P16473 1/20 0.32
CYP11B2 P19099 1/20 0.32
CYP2C19 P33261 1/20 0.32
SLC6A4 P31645 2/20 0.32
CHEK1 O14757 1/20 0.32
G6PD P11413 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
SRC P12931 3/20 0.31
PRKACA P17612 1/20 0.31
PRKACG P22612 1/20 0.31
PRKACB P22694 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
SCHEMBL24601621 0.93 KDM4E (0.36) ENPP3KDM4EALDH1A1GLAGAA
SCHEMBL24523847 0.88 CA1 (0.40) ENPP3KDM4EALDH1A1GLAGAA
SCHEMBL24601749 0.88 CA1 (0.40) ENPP3KDM4EALDH1A1GLAGAA
SCHEMBL24601758 0.88 CA1 (0.40) ENPP3KDM4EALDH1A1GLAGAA
SCHEMBL24523732 0.81 CHEK1 (0.36) ENPP3ALDH1A1CHEK1
SCHEMBL24523811 0.80 ENPP3 (0.36) ENPP3KDM4EALDH1A1GLAGAA
SCHEMBL24601631 0.80 KIF11 (0.44) CYP19A1
SCHEMBL24523747 0.80 ENPP3 (0.37) ENPP3KDM4EALDH1A1GLAGAA
SCHEMBL24523819 0.79 ENPP3 (0.35) ENPP3CHEK1G6PDCA1CA2
SCHEMBL24523812 0.79 MAPK10 (0.34) ENPP3

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-20220213113-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUNDS, FLUORESCENCE EMITTERS, ORGANIC ELECTROLUMINESCENT DEVICES, AND MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SAMSUNG ELECTRONICS CO., LTD. (KR) 2022-07-07 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-20220213113-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUNDS, FLUORESCENCE EMITTERS, ORGANIC ELECTROLUMINESCENT DEVICES, AND MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES NCL, NOC2L, NOLC1 ENPP3 437/4885KDM4E 3163/4885ALDH1A1 3824/4885

“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.