SCHEMBL24096485

SCHEMBL24096485

C=CCn1nc(I)c2c(N)ncnc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 3/20 0.54
▸ PIK3CD O00329 3/20 0.54
▸ PIK3CA P42336 2/20 0.54
▸ PIK3CB P42338 2/20 0.54
▸ PRKDC P78527 2/20 0.54
▸ SRC P12931 2/20 0.48
▸ KDR P35968 2/20 0.48
▸ EGFR P00533 2/20 0.48
▸ ABL1 P00519 1/20 0.48
▸ HCK P08631 1/20 0.48
▸ MTOR P42345 1/20 0.48
▸ EPHB4 P54760 1/20 0.48
▸ PI4KB Q9UBF8 1/20 0.48
▸ DYRK3 O43781 2/20 0.47
▸ CDK1 P06493 2/20 0.47
▸ ROS1 P08922 2/20 0.47
▸ RPS6KB1 P23443 2/20 0.47
▸ CDK2 P24941 2/20 0.47
▸ CSNK1A1 P48729 2/20 0.47
▸ CSNK1D P48730 2/20 0.47

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
SCHEMBL18250087 0.85 DYRK3 (0.47) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL21028946 0.83 PIK3CD (0.55) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL868744 0.80 PIK3CD (0.51) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL16864520 0.78 PIK3CD (0.54) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL16701523 0.78 ADK (0.49) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL23063891 0.78 SRC (0.46) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL4572201 0.77 RET (0.48) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL868521 0.77 DYRK3 (0.51) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL19283009 0.76 ADK (0.49) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL21950482 0.76 MAPK1 (0.60) PIK3CGPIK3CDSRCKDRPI4KB

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 PIK3CG 1663/4885PIK3CD 1435/4885PIK3CA 908/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 PIK3CG 3405/4885PIK3CD 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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