SCHEMBL23997152

SCHEMBL23997152

Nc1ccc(-c2nn(C3CCC3)c3ncnc(N)c23)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.69
LYN P07948 1/20 0.69
BTK Q06187 1/20 0.69
PIK3CD O00329 19/20 0.68
PIK3CA P42336 19/20 0.68
PIK3CB P42338 19/20 0.68
PIK3CG P48736 19/20 0.68
PRKDC P78527 19/20 0.68
ABL1 P00519 18/20 0.68
EGFR P00533 18/20 0.68
HCK P08631 18/20 0.68
SRC P12931 18/20 0.68
KDR P35968 18/20 0.68
MTOR P42345 18/20 0.68
EPHB4 P54760 18/20 0.68
PI4KB Q9UBF8 9/20 0.68

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
SCHEMBL1317659 0.97 LCK (0.73) LCKLYNBTKPIK3CDPIK3CA
SCHEMBL23997156 0.96 LCK (0.71) LCKLYNBTKPIK3CDPIK3CA
SCHEMBL23997146 0.95 BTK (0.65) LCKLYNBTKPIK3CDPIK3CA
SCHEMBL13019691 0.90 PIK3CD (0.72) LCKLYNBTKPIK3CDPIK3CA
SCHEMBL19335163 0.90 BTK (0.77) LCKLYNBTKPIK3CDPIK3CA
SCHEMBL24096496 0.89 PIK3CD (0.61) LCKLYNBTKPIK3CDPIK3CA
SCHEMBL23997158 0.89 SRC (0.61) LCKLYNBTKPIK3CDPIK3CA
SCHEMBL20351824 0.88 BTK (0.75) LCKLYNBTKPIK3CDPIK3CA
SCHEMBL15613465 0.87 PIK3CD (0.72) LCKLYNBTKPIK3CDPIK3CA
SCHEMBL5804520 0.87 PIK3CD (0.75) LCKLYNBTKPIK3CDPIK3CA

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 12 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
WO-2021226547-A2 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. (US) 2021-11-11 WO disclosed
WO-2021226547-A2 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. (US) 2021-11-11 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 LCK 1581/4885LYN 410/4885BTK 988/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 LCK 3727/4885LYN 1544/4885BTK 2045/4885

“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.