SCHEMBL6697459

SCHEMBL6697459

Cc1nc(NC2CCCC2)nc(-n2ccnc2C)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.39
MEN1 O00255 7/20 0.39
GABBR2 O75899 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
MAPT P10636 5/20 0.37
ATM Q13315 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CDK2 P24941 1/20 0.37
BLM P54132 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 2/20 0.36
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35

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
SCHEMBL6698332 0.99 KMT2A (0.40) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL6693078 0.88 SYK (0.36) KMT2AMEN1MAPTATMSMN1; SMN2
SCHEMBL6696926 0.88 SYK (0.36) KMT2AMEN1MAPTATMSMN1; SMN2
SCHEMBL6693074 0.88 SYK (0.36) KMT2AMEN1MAPTATMSMN1; SMN2
SCHEMBL6859816 0.88 SYK (0.36) KMT2AMEN1MAPTATMSMN1; SMN2
SCHEMBL6696921 0.88 SYK (0.36) KMT2AMEN1MAPTATMSMN1; SMN2
SCHEMBL6703138 0.85 MAPT (0.41) CYP1A2CYP2C9CYP2C19MAPTATM
SCHEMBL6693184 0.83 MAPK14 (0.35) KMT2AMEN1TDP1MAPTATM
SCHEMBL6696761 0.76 KDM4E (0.31) MAPTATMALDH1A1KDM4E
SCHEMBL6694812 0.74 MAPT (0.36) KMT2AMEN1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6835726-B2 Pyrimidine derivatives AMGEN INC. 2004-12-28 US disclosed
US-20040006068-A1 Pyrimidine derivatives TULARIK INC. 2004-01-08 US disclosed
EP-1056742-B1 ANTI-VIRAL PYRIMIDINE DERIVATIVES TULARIK INC (US) 2003-07-23 EP disclosed
US-6528513-B2 Viricides; especially cytomegalo virus TULARIK INC 2003-03-04 US disclosed
US-20010018436-A1 Pyrimidine derivatives TULARIK INC. 2001-08-30 US disclosed
US-6200977-B1 USEFUL IN TREATING AND SUPPRESSING HUMAN CYTOMEGALOVIRUS TULARIK INC. 2001-03-13 US disclosed
EP-1056742-A1 ANTI-VIRAL PYRIMIDINE DERIVATIVES TULARIK, INC. (US) 2000-12-06 EP disclosed
WO-1999041253-A1 ANTI-VIRAL PYRIMIDINE DERIVATIVES TULARIK INC. (US) 1999-08-19 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 (2 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-20010018436-A1 Pyrimidine derivatives TYMP, TYMS, UMPS KMT2A 3049/4885MEN1 3659/4885GABBR2 1700/4885
US-20040006068-A1 Pyrimidine derivatives TYMP, TYMS, UMPS KMT2A 3049/4885MEN1 3659/4885GABBR2 1700/4885

“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.