SCHEMBL7047413

SCHEMBL7047413

Cc1nc(-c2nc(NCC3CCCCC3)nc(C)c2[N+](=O)[O-])c[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.37
CDC7 O00311 2/20 0.36
CDK2 P24941 2/20 0.36
ROCK2 O75116 1/20 0.36
CCNB2 O95067 1/20 0.36
MAP4K4 O95819 1/20 0.36
CDK1 P06493 1/20 0.36
RET P07949 1/20 0.36
CCNB1 P14635 1/20 0.36
PRKACA P17612 1/20 0.36
GSK3B P49841 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
HIPK2 Q9H2X6 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
VCP P55072 3/20 0.35
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 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
SCHEMBL7041989 0.83 KMT2A (0.45) PTGS2CDK2GSK3BTDP1ALDH1A1
SCHEMBL7101569 0.82 KMT2A (0.43) PTGS2CDK2GSK3BTDP1ALDH1A1
SCHEMBL7115826 0.81 CDC7 (0.35) PTGS2CDC7CDK2ROCK2CCNB2
SCHEMBL7046695 0.78 ALDH1A1 (0.34) GSK3BTDP1ALDH1A1MEN1KMT2A
SCHEMBL7044554 0.78 ALDH1A1 (0.34) GSK3BTDP1ALDH1A1MEN1KMT2A
SCHEMBL7047410 0.74 VCP (0.35) PTGS2CDK2VCPTDP1ALDH1A1
SCHEMBL7043673 0.74 LMNA (0.50) ALDH1A1KMT2ANPC1RAB9AMAPT
SCHEMBL6693184 0.72 MAPK14 (0.35) PTGS2CDK2TDP1ALDH1A1MEN1
SCHEMBL6702558 0.72 PDE5A (0.42) PTGS2TDP1ALDH1A1MEN1KMT2A
SCHEMBL7045359 0.69 PPIA (0.40) TDP1ALDH1A1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002064096-A9 METHODS OF USING PYRIMIDINE-BASED ANTIVIRAL AGENTS TULARIK INC (US) 2003-10-16 WO disclosed
US-20030130264-A1 Methods of using pyrimidine-based antiviral agents TULARIK INC. (US) 2003-07-10 US disclosed
WO-2002064096-A2 METHODS OF USING PYRIMIDINE-BASED ANTIVIRAL AGENTS TULARIK INC. (US) 2002-08-22 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 (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-20030130264-A1 Methods of using pyrimidine-based antiviral agents TYMP, TYMS, NUDT1 PTGS2 3492/4885CDC7 314/4885CDK2 196/4885

“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.