SCHEMBL20063055

SCHEMBL20063055

CNc1nc(N)nc(NC(=O)Nc2nc(N)nc(NC(C)=O)n2)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
CYP1A2 P05177 2/20 0.40
ADORA3 P0DMS8 3/20 0.37
ADORA1 P30542 1/20 0.37
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NUDT1 P36639 1/20 0.33
CLK1 P49759 1/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALPL P05186 1/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 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
SCHEMBL12971786 0.94 POLB (0.46) POLBCYP1A2ADORA3ADORA1ALDH1A1
SCHEMBL13554533 0.87 POLB (0.52) POLBCYP1A2ADORA3ADORA1ALDH1A1
SCHEMBL26079908 0.86 MAPT (0.40) POLBCYP1A2ADORA3ADORA1ALDH1A1
SCHEMBL20063060 0.85 POLB (0.44) POLBCYP1A2ADORA3ADORA1ALDH1A1
SCHEMBL3298153 0.82 POLB (0.52) POLBCYP1A2ADORA3ADORA1ALDH1A1
SCHEMBL26079897 0.82 TSHR (0.52) POLBRAB9ACYP2C9LMNAPIK3R1
SCHEMBL26079916 0.80 POLB (0.32) POLBCYP1A2ALDH1A1GAAATM
SCHEMBL2472999 0.79 ALDH1A1 (0.39) POLBALDH1A1PIK3R1PIK3CAMTOR
SCHEMBL26080310 0.79 KDM4E (0.44) ALDH1A1KDM4E
SCHEMBL26079895 0.79 KMT2A (0.45) POLBALDH1A1RAB9ALMNAATM

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-20180105618-A1 N-HALAMINE MELAMINE DERIVATIVES AS NOVEL DECONTAMINATION AND BIOCIDAL AGENTS STATE OF ISRAEL PRIME MINISTER'S OFFICE ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2018-04-19 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-20180105618-A1 N-HALAMINE MELAMINE DERIVATIVES AS NOVEL DECONTAMINATION AND BIOCIDAL AGENTS HNMT, CAT, TYR POLB 1415/4885CYP1A2 2424/4885ADORA3 2591/4885

“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.