SCHEMBL26632791

SCHEMBL26632791

CC(C)n1ccc2nc(N)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 5/20 0.35
▸ NCF1 P14598 2/20 0.35
▸ NOS2 P35228 2/20 0.35
▸ NCK1 P16333 1/20 0.35
▸ HCAR3 P49019 1/20 0.34
▸ SLC2A1 P11166 4/20 0.34
▸ RPS6KB1 P23443 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ DHFR P00374 2/20 0.33
▸ PLAU P00749 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ NOS3 P29474 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ HCK P08631 1/20 0.32

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
SCHEMBL30592371 0.81 HCAR3 (0.34) HCAR3SMN1; SMN2PIK3CDABL1EGFR
SCHEMBL18806159 0.79 HCAR3 (0.35) HCAR3KDM4ESMN1; SMN2
SCHEMBL29565102 0.76 CDK1 (0.35) BACE1NCF1NOS2NCK1PLAU
SCHEMBL18806211 0.75 HCAR3 (0.33) HCAR3DHFRKDM4E
SCHEMBL31036108 0.75 PIK3CB (0.47) BACE1NCF1NOS2NCK1DHFR
SCHEMBL1097841 0.75 PIK3CB (0.47) BACE1NCF1NOS2NCK1DHFR
SCHEMBL22342787 0.71 HCAR3 (0.33) HCAR3
SCHEMBL7010975 0.71 BACE1 (0.39) BACE1NCF1NOS2NCK1PLAU
SCHEMBL26596983 0.70 BACE1 (0.35) BACE1NCF1NOS2NCK1PLAU
SCHEMBL21418606 0.69 CDK1 (0.33) NOS2NOS3NOS1

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 BACE1 3255/4885NCF1 883/4885NOS2 967/4885

“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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