SCHEMBL4417547

SCHEMBL4417547

Cc1nc(N2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c(=O)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
POLB P06746 4/20 0.49
PKM P14618 1/20 0.47
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ATM Q13315 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
RECQL P46063 1/20 0.41
CASP6 P55212 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4417030 0.88 POLB (0.51) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4416442 0.83 MAPT (0.48) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4414821 0.83 MAPT (0.53) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4421496 0.81 MAPT (0.40) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4420238 0.79 MAPT (0.42) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6948586 0.76 TYMS (0.44) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6435436 0.75 MAPT (0.35) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6955056 0.75 PNMT (0.40) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6950817 0.74 TYMS (0.44) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6953047 0.74 MAPT (0.38) MAPTKMT2AMEN1ATMGPR55

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397351-B1 PYRIMIDINE, TRIAZINE AND PYRAZINE DERIVATIVES AS GLUTAMATE RECEPTORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP disclosed
CN-1245391-C Pyrimidine, Triazine and pyrazine derivatives as glutamate receptors HOFFMANN LA ROCHE (CH) 2006-03-15 CN disclosed
CN-1512988-A Pyrimidine, Triazine and pyrazine derivatives as glutamate receptors - 2004-07-14 CN disclosed
EP-1397351-A1 PYRIMIDINE, TRIAZINE AND PYRAZINE DERIVATIVES AS GLUTAMATE RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2004-03-17 EP disclosed
US-6673795-B2 SUCH AS 6-(4-(4-FLUORO-PHENYL)-PIPERAZIN-1-YL)-2-METHYL-5-NITRO-3-(2,2,2-TRIFLUORO -ETHYL)-3H-PYRIMIDIN-4-ONE, WHICH ARE METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS USEFUL IN TREATING PSYCHOLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. 2004-01-06 US disclosed
US-20030060466-A1 Pyrimidine, pyrazine and triazine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-03-27 US disclosed
WO-2002098864-A1 PYRIMIDINE, TRIAZINE AND PYRAZINE DERIVATIVES AS GLUTAMATE RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2002-12-12 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-20030060466-A1 Pyrimidine, pyrazine and triazine derivatives P2RX5, IL5, P2RX2 MAPT 1578/4885CYP1A2 472/4885CYP3A4 1533/4885

“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.