SCHEMBL6696475

SCHEMBL6696475

CCCCN(Cc1ccccc1)c1nc(C)c([N+](=O)[O-])c(-n2ccnc2C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.39
MAPT P10636 4/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 4/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
AGTR1 P30556 2/20 0.33
AGTR2 P50052 2/20 0.33

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 0.91 MAPT (0.43) MAPTATMLMNAMEN1HTT
SCHEMBL6697673 0.85 MAPT (0.47) MAPTATMLMNAHTTNPC1
SCHEMBL6694814 0.83 CYP1A2 (0.38) MAPTATMLMNAMEN1HTT
SCHEMBL6697320 0.81 MAPT (0.40) MAPTATMMAPK1SMN1; SMN2TDP1
SCHEMBL6693069 0.78 MAPT (0.45) MAPTATMLMNAHTTNPC1
SCHEMBL6694037 0.77 NPC1 (0.49) MAPTATMMEN1KMT2AMAPK1
SCHEMBL7044720 0.74 CRHR1 (0.42) CRHR1MAPTLMNAMEN1HTT
SCHEMBL27576511 0.72 CRHR1 (0.39) CRHR1MAPTLMNAMEN1HTT
SCHEMBL6696477 0.72 LMNA (0.41) MAPTATMLMNAKMT2ASMN1; SMN2
SCHEMBL6696470 0.72 MAPT (0.38) MAPTATMLMNAMEN1HTT

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 CRHR1 4794/4885MAPT 1762/4885ATM 2349/4885

“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.