SCHEMBL24096736

SCHEMBL24096736

CC(C)n1nc(-c2ccc([N+](=O)[O-])c(Cl)c2)c2c(N)ncnc21

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 20/20 0.72
ABL1 P00519 19/20 0.72
PIK3CD O00329 18/20 0.67
PIK3CA P42336 18/20 0.67
PIK3CB P42338 18/20 0.67
PRKDC P78527 18/20 0.67
EGFR P00533 17/20 0.67
HCK P08631 17/20 0.67
KDR P35968 17/20 0.67
MTOR P42345 17/20 0.67
EPHB4 P54760 17/20 0.67
PI4KB Q9UBF8 13/20 0.67
PIK3CG P48736 17/20 0.66
BACE1 P56817 1/20 0.57

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
SCHEMBL24096879 0.88 SRC (0.69) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL28451646 0.85 ABL1 (0.69) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL14574672 0.84 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL28456717 0.84 SRC (0.74) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL30320624 0.83 SRC (0.84) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL24096629 0.83 SRC (0.84) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL29999315 0.82 SRC (0.69) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL1319283 0.82 SRC (0.69) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL14574610 0.78 SRC (0.76) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL29390873 0.78 SRC (0.76) SRCABL1PIK3CDPIK3CAPIK3CB

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 SRC 651/4885ABL1 2499/4885PIK3CD 1435/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 SRC 3388/4885ABL1 4556/4885PIK3CD 3373/4885

“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.