SCHEMBL7046808

SCHEMBL7046808

CCCC(C)Nc1nc(C)c([N+](=O)[O-])c(C2(C)N=CC=N2)n1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
POLB P06746 2/20 0.31
KCNH3 Q9ULD8 1/20 0.30

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
SCHEMBL7044715 0.81 LMNA (0.33) MEN1KMT2AMAPTTDP1LMNA
SCHEMBL7101567 0.72 KMT2A (0.41) ATMMEN1KMT2AMAPTTDP1
SCHEMBL7045358 0.72 PPIA (0.41) MAPTTDP1L3MBTL1MAPK1
SCHEMBL7041986 0.71 KMT2A (0.43) ATMMEN1KMT2AMAPTTDP1
SCHEMBL7047410 0.71 VCP (0.35) MEN1KMT2AMAPTTDP1L3MBTL1
SCHEMBL7043665 0.71 LMNA (0.50) KMT2AMAPTLMNAPOLB
SCHEMBL6694812 0.70 MAPT (0.36) ATMMEN1KMT2AMAPTTDP1
SCHEMBL7045765 0.64 LMNA (0.38) MEN1KMT2AMAPTTDP1LMNA
SCHEMBL7046836 0.64 MAPT (0.51) MEN1KMT2AMAPTTDP1L3MBTL1
SCHEMBL11448060 0.62 ALDH1A1 (0.52) MEN1KMT2AMAPTTDP1L3MBTL1

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 ATM 3318/4885MEN1 4096/4885KMT2A 2560/4885

“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.