SCHEMBL6696470

SCHEMBL6696470

CCCC(Cc1ccccc1)Nc1nc(C)c([N+](=O)[O-])c(-n2ccnc2C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
ATM Q13315 1/20 0.38
SIGMAR1 Q99720 1/20 0.34
DCTPP1 Q9H773 1/20 0.33
CDK1 P06493 2/20 0.32
CDK5 Q00535 1/20 0.32
LMNA P02545 2/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
CYP3A4 P08684 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CCR3 P51677 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
SCHEMBL6694812 0.83 MAPT (0.36) MAPTATMLMNAPOLBCYP3A4
SCHEMBL8151828 0.79 MAPT (0.34) MAPTATMSMN1; SMN2ALDH1A1KDM4E
SCHEMBL6696477 0.77 LMNA (0.41) MAPTATMLMNATP53SMN1; SMN2
SCHEMBL7044715 0.75 LMNA (0.33) MAPTSIGMAR1DCTPP1CDK1CDK5
SCHEMBL6701919 0.73 MAPT (0.43) MAPTATMDCTPP1LMNATP53
SCHEMBL6697673 0.73 MAPT (0.47) MAPTATMDCTPP1LMNAPOLB
SCHEMBL6696475 0.72 CRHR1 (0.39) MAPTATMDCTPP1LMNASMN1; SMN2
SCHEMBL6703138 0.71 MAPT (0.41) MAPTATMLMNACYP3A4CYP1A2
SCHEMBL6695417 0.70 KDM4E (0.47) MAPTATMTP53POLBSMN1; SMN2
SCHEMBL6692301 0.69 MAPT (0.51) MAPTLMNATP53POLBSMN1; SMN2

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 MAPT 1762/4885ATM 2349/4885SIGMAR1 4699/4885

“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.