SCHEMBL24096567

SCHEMBL24096567

Nc1ncnc2c1c(-c1ccc([N+](=O)[O-])c(F)c1)nn2C1CCNCC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 18/20 0.61
▸ PIK3CD O00329 17/20 0.61
▸ PIK3CA P42336 17/20 0.61
▸ PIK3CB P42338 17/20 0.61
▸ PIK3CG P48736 17/20 0.61
▸ PRKDC P78527 17/20 0.61
▸ ABL1 P00519 16/20 0.61
▸ EGFR P00533 16/20 0.61
▸ HCK P08631 16/20 0.61
▸ KDR P35968 16/20 0.61
▸ MTOR P42345 16/20 0.61
▸ EPHB4 P54760 15/20 0.61
▸ PI4KB Q9UBF8 12/20 0.61
▸ LCK P06239 1/20 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
SCHEMBL25293595 0.86 SRC (0.44) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5804210 0.85 SRC (0.69) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL24096741 0.85 PIK3CD (0.57) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30320466 0.83 BTK (0.58) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL25793050 0.83 BTK (0.58) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL15648086 0.82 BTK (0.58) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL27604297 0.81 SRC (0.61) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL24196618 0.78 BTK (0.63) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30416266 0.78 BTK (0.63) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL24096758 0.78 PIK3CD (0.69) SRCPIK3CDPIK3CAPIK3CBPIK3CG

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 SRC 651/4885PIK3CD 1435/4885PIK3CA 908/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 SRC 3388/4885PIK3CD 3373/4885PIK3CA 3263/4885

“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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