SCHEMBL25679651

SCHEMBL25679651

Cc1ccc2nc(C)cc(Oc3ccc(NS(=O)(=O)C4CC4)c(P)c3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.39
▸ MRGPRX1 Q96LB2 5/20 0.37
▸ KCNH2 Q12809 3/20 0.37
▸ HRH1 P35367 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ MITF O75030 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TRIM24 O15164 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ ADAM17 P78536 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ GAA P10253 1/20 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
SCHEMBL25680643 0.80 SCN9A (0.41) MRGPRX1HRH1KMT2AMEN1BRD4
SCHEMBL1591382 0.80 AXL (0.44) MRGPRX1HRH1
SCHEMBL25680635 0.74 AXL (0.55) —
SCHEMBL22436074 0.67 BRD4 (0.49) BRD4
SCHEMBL25679640 0.65 AXL (0.58) —
SCHEMBL12407120 0.65 FKBP1A (0.53) MRGPRX1HRH1KMT2AMAPTHTT
SCHEMBL12407095 0.63 MRGPRX1 (0.51) MRGPRX1HRH1KMT2A
SCHEMBL1591628 0.63 AXL (0.50) KMT2ATRIM24BRD4
SCHEMBL30446169 0.63 AXL (0.70) —
SCHEMBL9724306 0.62 KDM4E (0.59) KDM4EKCNH2L3MBTL1KMT2AMITF

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-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2023-06-15 — — 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-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 KDM4E 2697/4885MRGPRX1 1254/4885KCNH2 4751/4885

“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.

Send feedback