SCHEMBL26653370

SCHEMBL26653370

CCCC(C)(CC)n1c(N)nc2cncnc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 11/20 0.33
CYP2C9 P11712 10/20 0.33
CYP3A4 P08684 10/20 0.33
CYP2C19 P33261 9/20 0.33
ALDH1A1 P00352 7/20 0.33
TSHR P16473 3/20 0.33
ADORA2A P29274 3/20 0.33
ADORA2B P29275 3/20 0.33
ADORA1 P30542 3/20 0.33
USP2 O75604 6/20 0.32
HSD17B10 Q99714 4/20 0.32
MAPK1 P28482 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CCNA2 P20248 2/20 0.32
CDK2 P24941 2/20 0.32
CCNA1 P78396 2/20 0.32
CDK5 Q00535 2/20 0.32
DYRK1A Q13627 2/20 0.32
CDK5R1 Q15078 2/20 0.32
MEN1 O00255 2/20 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
SCHEMBL26607630 0.92 CCNA2 (0.36) CYP1A2CYP2C9CYP3A4CYP2C19ALDH1A1
SCHEMBL26628634 0.86 CYP1A2 (0.37) CYP1A2CYP2C9CYP3A4CYP2C19ALDH1A1
SCHEMBL26607631 0.83 CYP1A2 (0.39) CYP1A2CYP2C9CYP3A4CYP2C19ALDH1A1
SCHEMBL26597008 0.79 CYP1A2 (0.37) CYP1A2CYP2C9CYP3A4CYP2C19ALDH1A1
SCHEMBL21118430 0.76 FDPS (0.39) CYP1A2CYP2C9CYP3A4CYP2C19ALDH1A1
SCHEMBL25824578 0.69 TNKS (0.32) MEN1KMT2ALMNA
SCHEMBL22477777 0.69 AKT1 (0.40) CYP1A2CYP2C19MEN1KMT2ALMNA
SCHEMBL23346841 0.68 CYP1A2 (0.49) CYP1A2CYP2C9CYP3A4CYP2C19ALDH1A1
SCHEMBL24254229 0.67 FDPS (0.36) CYP1A2CYP2C9CYP3A4CYP2C19ALDH1A1
SCHEMBL26622982 0.66 KDM4E (0.36) ALDH1A1HSD17B10CDK2

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 CYP1A2 1218/4885CYP2C9 275/4885CYP3A4 783/4885

“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.