SCHEMBL6954343

SCHEMBL6954343

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.35
GRIA2 P42262 2/20 0.35
GRIA3 P42263 2/20 0.35
GRIA4 P48058 2/20 0.35
MAPT P10636 4/20 0.32
MAPK1 P28482 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MITF O75030 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
XBP1 P17861 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL6954344 1.00 GRIA1 (0.35) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL6702567 1.00 GRIA1 (0.35) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL6702564 1.00 GRIA1 (0.35) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL6702566 1.00 GRIA1 (0.35) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL6692310 0.87 GRIA1 (0.36) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL6692306 0.87 GRIA1 (0.36) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL6692314 0.87 GRIA1 (0.36) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL6960039 0.87 GRIA1 (0.36) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL6960035 0.87 GRIA1 (0.36) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL6694832 0.81 SMN1; SMN2 (0.41) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20010018436-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.