SCHEMBL6692306

SCHEMBL6692306

Cc1nc(N[C@H]2CCCC[C@@H]2C)nc(-n2ccnc2)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
MAPT P10636 6/20 0.35
NPSR1 Q6W5P4 3/20 0.35
MAPK1 P28482 3/20 0.35
XBP1 P17861 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 5/20 0.33
SYK P43405 3/20 0.33
POLB P06746 1/20 0.33
MITF O75030 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 2/20 0.33
HSP90AA1 P07900 1/20 0.33
NOS2 P35228 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6960039 1.00 GRIA1 (0.36) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL6692310 1.00 GRIA1 (0.36) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL6692314 1.00 GRIA1 (0.36) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL6960035 1.00 GRIA1 (0.36) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL6697717 0.88 GRIA1 (0.34) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL6697713 0.88 GRIA1 (0.34) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL6702566 0.87 GRIA1 (0.35) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL6954343 0.87 GRIA1 (0.35) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL6702564 0.87 GRIA1 (0.35) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL6954344 0.87 GRIA1 (0.35) GRIA1GRIA2GRIA3GRIA4MAPT

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-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 (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 GRIA1 3400/4885GRIA2 3715/4885GRIA3 3727/4885

“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.