SCHEMBL6693078

SCHEMBL6693078

Cc1nc(NC2CCCCC2C)nc(-n2ccnc2C)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.36
MAPT P10636 5/20 0.35
ATM Q13315 2/20 0.35
MAPK1 P28482 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ALDH1A1 P00352 6/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
XBP1 P17861 1/20 0.32
TAS1R3 Q7RTX0 3/20 0.32
TAS1R1 Q7RTX1 3/20 0.32
TAS1R2 Q8TE23 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 2/20 0.32
TSHR P16473 2/20 0.32
HTT P42858 2/20 0.32
NPC1 O15118 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL6693074 1.00 SYK (0.36) SYKMAPTATMMAPK1NPSR1
SCHEMBL6696921 1.00 SYK (0.36) SYKMAPTATMMAPK1NPSR1
SCHEMBL6696926 1.00 SYK (0.36) SYKMAPTATMMAPK1NPSR1
SCHEMBL6859816 1.00 SYK (0.36) SYKMAPTATMMAPK1NPSR1
SCHEMBL6697459 0.88 KMT2A (0.39) MAPTATMMAPK1NPSR1ALDH1A1
SCHEMBL6698332 0.87 KMT2A (0.40) MAPTATMMAPK1NPSR1ALDH1A1
SCHEMBL6692310 0.81 GRIA1 (0.36) SYKMAPTATMMAPK1NPSR1
SCHEMBL6960039 0.81 GRIA1 (0.36) SYKMAPTATMMAPK1NPSR1
SCHEMBL6692314 0.81 GRIA1 (0.36) SYKMAPTATMMAPK1NPSR1
SCHEMBL6692306 0.81 GRIA1 (0.36) SYKMAPTATMMAPK1NPSR1

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 SYK 2280/4885MAPT 1762/4885ATM 2349/4885
US-20040006068-A1 Pyrimidine derivatives TYMP, TYMS, UMPS SYK 2280/4885MAPT 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.