SCHEMBL6696477

SCHEMBL6696477

Cc1nc(NCCCCCc2ccccc2)nc(-n2ccnc2C)c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
TP53 P04637 2/20 0.41
PRKCQ Q04759 2/20 0.40
MAPT P10636 2/20 0.39
ATM Q13315 1/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6696470 0.77 MAPT (0.38) LMNATP53MAPTATMHPGD
SCHEMBL6695417 0.76 KDM4E (0.47) TP53MAPTATMKDM4EGAA
SCHEMBL8125495 0.75 LMNA (0.51) LMNATP53PRKCQMAPTHPGD
SCHEMBL6697673 0.75 MAPT (0.47) LMNAMAPTATM
SCHEMBL7044724 0.74 LMNA (0.42) LMNATP53PRKCQMAPTHPGD
SCHEMBL6693184 0.73 MAPK14 (0.35) MAPTATMKMT2AGAA
SCHEMBL6703138 0.73 MAPT (0.41) LMNAPRKCQMAPTATMKDM4E
SCHEMBL8125842 0.73 HPGD (0.43) LMNATP53PRKCQMAPTHPGD
SCHEMBL6692301 0.71 MAPT (0.51) LMNATP53MAPTKMT2ASMN1; SMN2
SCHEMBL7029927 0.71 KMT2A (0.66) LMNATP53MAPTHPGDKMT2A

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 LMNA 4485/4885TP53 395/4885PRKCQ 3108/4885

“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.