SCHEMBL6696761

SCHEMBL6696761

Cc1nc(NC2CCc3c(F)cc(F)cc32)nc(-n2ccnc2C)c1[N+](=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL6700107 0.90
SCHEMBL6696536 0.84 GRIA1 (0.35) L3MBTL1
SCHEMBL6694054 0.81 L3MBTL1 (0.35) ALDH1A1MAPTL3MBTL1
SCHEMBL7047804 0.79 ADRA1A (0.32) L3MBTL1
SCHEMBL6697459 0.76 KMT2A (0.39) KDM4EALDH1A1MAPTATM
SCHEMBL7044727 0.76 L3MBTL1 (0.32) L3MBTL1
SCHEMBL6698332 0.76 KMT2A (0.40) KDM4EALDH1A1MAPTATM
SCHEMBL7047287 0.75 L3MBTL1 (0.31) L3MBTL1
SCHEMBL6693074 0.74 SYK (0.36) KDM4EALDH1A1MAPTATM
SCHEMBL6859816 0.74 SYK (0.36) KDM4EALDH1A1MAPTATM

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 6 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
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 (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-20040006068-A1 Pyrimidine derivatives TYMP, TYMS, UMPS KDM4E 2819/4885ALDH1A1 2587/4885MAPT 1762/4885

“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.