SCHEMBL7046836

SCHEMBL7046836

Cc1nc(N(C)c2ccccc2)nc(C2(C)N=CC=N2)c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
KMT2A Q03164 5/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MEN1 O00255 4/20 0.41
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL7044714 0.88 MAPT (0.44) MAPTKMT2ANPC1RAB9AMAPK1
SCHEMBL7043415 0.87 MAPK1 (0.44) MAPTKMT2ANPC1RAB9AMAPK1
SCHEMBL7035893 0.86 KMT2A (0.43) MAPTKMT2ANPC1RAB9AMAPK1
SCHEMBL7045765 0.81 LMNA (0.38) MAPTKMT2AMAPK1ALDH1A1L3MBTL1
SCHEMBL7044320 0.80 MAPT (0.62) MAPTKMT2ANPC1RAB9AMAPK1
SCHEMBL7045358 0.77 PPIA (0.41) MAPTNPC1RAB9AMAPK1ALDH1A1
SCHEMBL6695454 0.72 NPC1 (0.77) MAPTKMT2ANPC1RAB9AMAPK1
SCHEMBL7046838 0.71 MAPT (0.49) MAPTKMT2ANPC1RAB9AMAPK1
SCHEMBL7043665 0.71 LMNA (0.50) MAPTKMT2ANPC1RAB9AALDH1A1
SCHEMBL8119258 0.71 MAPT (0.48) MAPTKMT2ANPC1RAB9AMAPK1

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 MAPT 2656/4885KMT2A 2560/4885NPC1 2289/4885

“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.