SCHEMBL6694812

SCHEMBL6694812

CCCC(C)Nc1nc(C)c([N+](=O)[O-])c(-n2ccnc2C)n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
ATM Q13315 2/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP19A1 P11511 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL8151828 0.86 MAPT (0.34) MAPTATMKDM4EALDH1A1
SCHEMBL6696470 0.83 MAPT (0.38) MAPTATMKDM4EALDH1A1MEN1
SCHEMBL6695877 0.74 MAPT (0.39) MAPTATMKDM4EALDH1A1MEN1
SCHEMBL6697459 0.74 KMT2A (0.39) MAPTATMKDM4EALDH1A1MEN1
SCHEMBL6695417 0.73 KDM4E (0.47) MAPTATMKDM4EALDH1A1POLB
SCHEMBL6698332 0.73 KMT2A (0.40) MAPTATMKDM4EALDH1A1MEN1
SCHEMBL8151831 0.73 MAPT (0.35) MAPTATMKDM4EALDH1A1MEN1
SCHEMBL6693184 0.73 MAPK14 (0.35) MAPTATMALDH1A1MEN1KMT2A
SCHEMBL6697320 0.73 MAPT (0.40) MAPTATMKDM4EALDH1A1TDP1
SCHEMBL6694814 0.72 CYP1A2 (0.38) MAPTATMKDM4EALDH1A1MEN1

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
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 (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 2349/4885KDM4E 2819/4885
US-20040006068-A1 Pyrimidine derivatives TYMP, TYMS, UMPS MAPT 1762/4885ATM 2349/4885KDM4E 2819/4885

“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.