SCHEMBL7041986

SCHEMBL7041986

Cc1nc(NC2CCCCC2)nc(C2(C)N=CC=N2)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.43
MEN1 O00255 8/20 0.43
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GABBR2 O75899 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41
CTSL P07711 2/20 0.40
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
BLM P54132 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 3/20 0.39
GSK3A P49840 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
SCHEMBL7101567 0.99 KMT2A (0.41) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL7047410 0.83 VCP (0.35) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL7041989 0.72 KMT2A (0.45) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL7046808 0.71 ATM (0.34) KMT2AMEN1MAPTTDP1MAPK1
SCHEMBL7101569 0.71 KMT2A (0.43) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL6698332 0.70 KMT2A (0.40) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL7043665 0.70 LMNA (0.50) KMT2AMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL6697459 0.68 KMT2A (0.39) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL7045358 0.68 PPIA (0.41) MAPTSMN1; SMN2TDP1ALDH1A1MAPK1
SCHEMBL27539774 0.67 KMT2A (0.39) KMT2AMEN1MAPTSMN1; SMN2HTT

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 2560/4885MEN1 4096/4885MAPT 2656/4885

“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.