SCHEMBL24601749

SCHEMBL24601749

N#Cc1ccc2c(c1)c1c3c4ccccc4n4c5ccc(C#N)cc5c(c5c6ccccc6n2c51)c34

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
ENPP3 O14638 1/20 0.40
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
PTGER4 P35408 1/20 0.38
G6PD P11413 2/20 0.36
AR P10275 1/20 0.35
RORC P51449 3/20 0.34
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
IMPDH2 P12268 1/20 0.34
DUSP3 P51452 1/20 0.34
TSHR P16473 1/20 0.33
HTR6 P50406 1/20 0.33

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 0.91 KDM4E (0.36) CA1CA2ENPP3ALDH1A1KDM4E
SCHEMBL24523847 0.90 CA1 (0.40) CA1CA2ENPP3ALDH1A1KDM4E
SCHEMBL24601758 0.90 CA1 (0.40) CA1CA2ENPP3ALDH1A1KDM4E
SCHEMBL24601626 0.88 ENPP3 (0.35) CA1CA2ENPP3ALDH1A1KDM4E
SCHEMBL21717825 0.83 ENPP3 (0.43) CA1CA2ENPP3ALDH1A1KDM4E
SCHEMBL38652911 0.83 ENPP3 (0.43) CA1CA2ENPP3ALDH1A1KDM4E
SCHEMBL21718127 0.82 ENPP3 (0.46) CA1CA2ENPP3ALDH1A1KDM4E
SCHEMBL21710700 0.82 CA1 (0.44) CA1CA2ENPP3ALDH1A1KDM4E
SCHEMBL24034923 0.82 ENPP3 (0.42) CA1CA2ENPP3ALDH1A1KDM4E
SCHEMBL24034921 0.82 ENPP3 (0.42) CA1CA2ENPP3ALDH1A1KDM4E

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 CA1 1791/4885CA2 943/4885ENPP3 437/4885

“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.