SCHEMBL6697320

SCHEMBL6697320

CCN(CC)c1nc(C)c([N+](=O)[O-])c(-n2ccnc2C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
ATM Q13315 1/20 0.40
PPIA P62937 4/20 0.39
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 5/20 0.36
TDP1 Q9NUW8 2/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NOS1 P29475 1/20 0.32
MAPK1 P28482 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NPC1 O15118 1/20 0.32
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
ALPG P10696 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 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
SCHEMBL6701919 0.84 MAPT (0.43) MAPTATMALDH1A1TDP1KDM4E
SCHEMBL6694814 0.84 CYP1A2 (0.38) MAPTATMALDH1A1KDM4ENOS1
SCHEMBL6696475 0.81 CRHR1 (0.39) MAPTATMRAB9ATDP1MAPK1
SCHEMBL6697673 0.80 MAPT (0.47) MAPTATMRAB9AALDH1A1NPC1
SCHEMBL6694037 0.79 NPC1 (0.49) MAPTATMRAB9AALDH1A1TDP1
SCHEMBL6701455 0.78 MAPT (0.41) MAPTATMRAB9AALDH1A1TDP1
SCHEMBL6695877 0.77 MAPT (0.39) MAPTATMRAB9AALDH1A1KDM4E
SCHEMBL6694812 0.73 MAPT (0.36) MAPTATMALDH1A1TDP1KDM4E
SCHEMBL6695432 0.72 NPC1 (0.47) MAPTATMRAB9AALDH1A1TDP1
SCHEMBL6693069 0.71 MAPT (0.45) MAPTATMRAB9AALDH1A1NPC1

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 MAPT 1762/4885ATM 2349/4885PPIA 1872/4885
US-20040006068-A1 Pyrimidine derivatives TYMP, TYMS, UMPS MAPT 1762/4885ATM 2349/4885PPIA 1872/4885

“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.