SCHEMBL4417101

SCHEMBL4417101

N#Cc1c(Cl)nc(NCCO)nc1NCC1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.42
CDK2 P24941 3/20 0.42
CCNA1 P78396 3/20 0.42
EGFR P00533 1/20 0.42
KDM4E B2RXH2 6/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 3/20 0.36
ADORA1 P30542 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
CHUK O15111 1/20 0.34
ACHE P22303 3/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
BCHE P06276 2/20 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
SCHEMBL4413356 0.95 CCNA2 (0.42) CCNA2CDK2CCNA1EGFRKDM4E
SCHEMBL4415117 0.89 CHUK (0.39) CHUKACHEBCHEBCL6
SCHEMBL4420256 0.86 CCNA2 (0.52) CCNA2CDK2CCNA1EGFRKDM4E
SCHEMBL4413373 0.83 CDK2 (0.40) CCNA2CDK2CCNA1EGFRKDM4E
SCHEMBL4413397 0.81 KDM4E (0.41) CCNA2CDK2CCNA1EGFRKDM4E
SCHEMBL4416412 0.80 MAPK1 (0.38) KDM4EHTTCHUKACHEBCL6
SCHEMBL4416386 0.80 CCNA2 (0.47) CCNA2CDK2CCNA1EGFRKDM4E
SCHEMBL4420993 0.74 ALDH1A1 (0.41) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL4416776 0.73 KDM4E (0.46) CCNA2CDK2CCNA1EGFRKDM4E
SCHEMBL4416743 0.73 GRM2 (0.42) KDM4EALDH1A1MEN1KMT2ATDP1

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 CCNA2 939/4885CDK2 326/4885CCNA1 867/4885

“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.