SCHEMBL7035893

SCHEMBL7035893

CC(C)c1nc(N(C)c2ccccc2)nc(C2(C)N=CC=N2)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPK1 P28482 1/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 4/20 0.39
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.33

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
SCHEMBL7046836 0.86 MAPT (0.51) KMT2ANPC1RAB9AMAPK1MAPT
SCHEMBL7043415 0.83 MAPK1 (0.44) KMT2ANPC1RAB9AMAPK1MAPT
SCHEMBL7044714 0.75 MAPT (0.44) KMT2ANPC1RAB9AMAPK1MAPT
SCHEMBL7035896 0.72 NPC1 (0.43) KMT2ANPC1RAB9AMAPK1MAPT
SCHEMBL6694823 0.71 NPC1 (0.47) KMT2ANPC1RAB9AMAPK1MAPT
SCHEMBL7044320 0.69 MAPT (0.62) KMT2ANPC1RAB9AMAPK1MAPT
SCHEMBL7045765 0.68 LMNA (0.38) KMT2AMAPK1MAPTALDH1A1L3MBTL1
SCHEMBL7045358 0.64 PPIA (0.41) NPC1RAB9AMAPK1MAPTALDH1A1
SCHEMBL4055825 0.63 KMT2A (0.65) KMT2ANPC1RAB9AMAPK1MAPT
SCHEMBL28393123 0.63 KMT2A (0.47) KMT2ANPC1RAB9AMAPK1MAPT

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 KMT2A 2560/4885NPC1 2289/4885RAB9A 3701/4885

“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.