SCHEMBL24096759

SCHEMBL24096759

CC(C)n1nc(-c2ccc(NC(=O)Oc3ccccc3)cc2)c2c(N)ncnc21

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 17/20 0.60
▸ ABL1 P00519 13/20 0.60
▸ PIK3CD O00329 10/20 0.60
▸ PIK3CA P42336 10/20 0.60
▸ PIK3CG P48736 10/20 0.60
▸ PRKDC P78527 10/20 0.60
▸ EGFR P00533 10/20 0.60
▸ HCK P08631 9/20 0.60
▸ KDR P35968 9/20 0.60
▸ PI4KB Q9UBF8 9/20 0.60
▸ MTOR P42345 8/20 0.60
▸ EPHB4 P54760 8/20 0.60
▸ PIK3CB P42338 8/20 0.60
▸ RET P07949 1/20 0.56
▸ BACE1 P56817 1/20 0.54

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
SCHEMBL12120525 0.87 RET (0.67) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL25069027 0.81 SRC (0.76) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL12436456 0.80 SRC (0.76) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL3630418 0.80 SRC (0.76) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL24096756 0.80 BTK (0.55) SRCABL1EGFRHCK
SCHEMBL12120716 0.78 AURKB (0.78) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL24710409 0.78 RET (0.82) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL12120517 0.77 SRC (0.64) SRCABL1PIK3CDPIK3CAPIK3CG
Trifluoroacetic Acid SCHEMBL30155338 0.77 RET (0.77) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL24710399 0.76 RET (0.74) SRCABL1PIK3CDPIK3CAPIK3CG

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 5 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
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.

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