SCHEMBL24096513

SCHEMBL24096513

Nc1ncnc2c1c(-c1ccc([N+](=O)[O-])cc1)nn2C1CCC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 19/20 0.62
▸ PIK3CA P42336 19/20 0.62
▸ PIK3CB P42338 19/20 0.62
▸ PIK3CG P48736 19/20 0.62
▸ PRKDC P78527 19/20 0.62
▸ ABL1 P00519 18/20 0.62
▸ EGFR P00533 18/20 0.62
▸ HCK P08631 18/20 0.62
▸ SRC P12931 18/20 0.62
▸ KDR P35968 18/20 0.62
▸ MTOR P42345 18/20 0.62
▸ EPHB4 P54760 18/20 0.62
▸ PI4KB Q9UBF8 8/20 0.62
▸ LCK P06239 1/20 0.61
▸ LYN P07948 1/20 0.61
▸ BTK Q06187 1/20 0.61

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
SCHEMBL30320584 1.00 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL1317762 0.98 PIK3CD (0.65) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL30320566 0.95 SRC (0.58) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL24096494 0.95 SRC (0.58) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL24096737 0.90 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL24096491 0.88 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL1321276 0.86 KDR (0.63) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL1320199 0.86 KDR (0.63) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL1320201 0.86 KDR (0.63) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL23997152 0.85 LCK (0.69) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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 10 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-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
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
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 PIK3CD 1435/4885PIK3CA 908/4885PIK3CB 1570/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 PIK3CD 3373/4885PIK3CA 3263/4885PIK3CB 3345/4885

“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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