SCHEMBL24096881

SCHEMBL24096881

CC(C)(O)Cn1nc(-c2ccc(N)cc2)c2c(N)ncnc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.68
▸ KDM4E B2RXH2 3/20 0.68
▸ MAPK1 P28482 2/20 0.68
▸ TP53 P04637 1/20 0.68
▸ CYP3A4 P08684 1/20 0.68
▸ MEN1 O00255 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ TDP1 Q9NUW8 1/20 0.67
▸ PRKD3 O94806 2/20 0.58
▸ BTK Q06187 4/20 0.56
▸ RET P07949 2/20 0.56
▸ FYN P06241 7/20 0.52
▸ SRC P12931 6/20 0.52
▸ ABL1 P00519 4/20 0.52
▸ YES1 P07947 3/20 0.52
▸ LYN P07948 3/20 0.52
▸ BLK P51451 3/20 0.52
▸ EGFR P00533 3/20 0.52
▸ KDR P35968 3/20 0.52
▸ RIPK2 O43353 2/20 0.52

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
SCHEMBL23997157 0.90 CYP1A2 (0.83) CYP1A2KDM4EMAPK1TP53CYP3A4
SCHEMBL24096507 0.85 CYP1A2 (0.59) CYP1A2KDM4EMAPK1TP53CYP3A4
SCHEMBL29781037 0.85 CYP1A2 (0.64) CYP1A2KDM4EMAPK1TP53CYP3A4
SCHEMBL29998849 0.84 PRKD3 (0.58) CYP1A2KDM4EMAPK1TP53CYP3A4
SCHEMBL24096616 0.84 PRKD3 (0.58) CYP1A2KDM4EMAPK1TP53CYP3A4
SCHEMBL29781148 0.81 SRC (0.59) CYP1A2KDM4EMAPK1TP53CYP3A4
SCHEMBL29780889 0.81 SRC (0.64) CYP1A2KDM4EMAPK1TP53CYP3A4
SCHEMBL29052195 0.81 SRC (0.59) CYP1A2KDM4EMAPK1TP53CYP3A4
SCHEMBL17962837 0.81 SRC (0.71) PRKD3SRCABL1EGFRKDR
SCHEMBL13019782 0.80 CYP1A2 (1.00) CYP1A2KDM4EMAPK1TP53CYP3A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 — — US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 — — US disclosed
US-20230203045-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. 2023-06-29 — — US disclosed
US-20230203045-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. 2023-06-29 — — US disclosed
CN-116075513-A Inhibitors of NEK7 kinase 哈利亚治疗公司 2023-05-05 — — CN disclosed
EP-4161933-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. (US) 2023-04-12 — — EP disclosed
WO-2021252488-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. (US) 2021-12-16 — — 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 (2 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-20230203045-A1 INHIBITORS OF NEK7 KINASE NEK7, NEK1, NEK5 CYP1A2 3396/4885KDM4E 1783/4885MAPK1 228/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 CYP1A2 4720/4885KDM4E 4052/4885MAPK1 1095/4885

“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.

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