SCHEMBL26632865

SCHEMBL26632865

CC(C)C(C)n1ccc2cnc(N)cc21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIK3CB P42338 1/20 0.46
▸ PDPK1 O15530 1/20 0.38
▸ NOS3 P29474 1/20 0.36
▸ NOS1 P29475 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ FGFR1 P11362 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ CDK2 P24941 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ CDC7 O00311 2/20 0.32
▸ TTBK1 Q5TCY1 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ ABL1 P00519 1/20 0.30

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
SCHEMBL26618797 0.87 PIK3CB (0.49) PIK3CBPDPK1NOS3NOS1NOS2
SCHEMBL23346741 0.74 PIK3CB (0.73) PIK3CBPDPK1NOS3NOS1NOS2
SCHEMBL26607412 0.73 PIK3CB (0.62) PIK3CBPDPK1NOS3NOS1NOS2
SCHEMBL2298099 0.70 PIK3CB (0.49) PIK3CBPDPK1NOS3NOS1NOS2
SCHEMBL26596987 0.70 PIK3CB (0.49) PIK3CBPDPK1NOS3NOS1NOS2
SCHEMBL26633046 0.68 MCHR1 (0.34) NOS3NOS1NOS2
SCHEMBL15741995 0.67 CDK2 (0.46) PIK3CBCDK2JAK2EGFRKDR
SCHEMBL22153122 0.67 JAK2 (0.40) PIK3CBCDK2JAK2EGFRKDR
SCHEMBL23478682 0.67 FGFR1 (0.45) PIK3CBPDPK1NOS3NOS1NOS2
SCHEMBL15741962 0.67 JAK2 (0.40) PIK3CBCDK2JAK2EGFRKDR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795192-B2 Antimicrobial compounds, compositions, and uses thereof Lakewood Amedex, Inc. (US) 2023-10-24 — — US 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 (1 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-11795192-B2 Antimicrobial compounds, compositions, and uses thereof CAT, MPO, NISCH PIK3CB 1787/4885PDPK1 4054/4885NOS3 866/4885

“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.

Send feedback