SCHEMBL7049035

SCHEMBL7049035

Cc1nc(NC2CCC(C)CC2)nc(-c2ncc[nH]2)c1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.34
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
GSK3B P49841 2/20 0.32
GSK3A P49840 1/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
GABBR2 O75899 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ADORA1 P30542 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL7645268 0.88 BTK (0.33) MAPTNPSR1KMT2AMEN1GABBR2
SCHEMBL7044694 0.83 PRKCQ (0.38)
SCHEMBL7044696 0.79 JAK2 (0.31)
SCHEMBL7115826 0.77 CDC7 (0.35) ALDH1A1GSK3BKMT2AMEN1TDP1
SCHEMBL7047804 0.75 ADRA1A (0.32) L3MBTL1
SCHEMBL6694832 0.71 SMN1; SMN2 (0.41) GRM5ALDH1A1POLBMAPTNPSR1
SCHEMBL7101569 0.70 KMT2A (0.43) ALDH1A1POLBGSK3BGSK3AMAPT
SCHEMBL7041989 0.70 KMT2A (0.45) ALDH1A1GSK3BGSK3AMAPTNPSR1
SCHEMBL8125842 0.69 HPGD (0.43) ALDH1A1GSK3BMAPTMAPK1KMT2A
SCHEMBL7458020 0.68 MTOR (0.50) MAPTNPSR1MAPK1CYP1A2CYP2C9

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 GRM5 1772/4885ALDH1A1 2001/4885POLB 158/4885

“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.