SCHEMBL4021409

SCHEMBL4021409

CC1CN(CCCC[O])CC(C)O1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.68
EBP Q15125 1/20 0.68
KDM4E B2RXH2 8/20 0.48
ALDH1A1 P00352 7/20 0.48
TDP1 Q9NUW8 2/20 0.48
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.45
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
GAA P10253 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL4023892 0.93 SIGMAR1 (0.64) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL296969 0.86 SIGMAR1 (0.55) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL4024634 0.86 SIGMAR1 (0.55) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL296970 0.86 SIGMAR1 (0.55) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL296048 0.86 SIGMAR1 (0.55) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL13261429 0.83 SIGMAR1 (0.96) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL15308628 0.83 SIGMAR1 (0.96) SIGMAR1EBPKDM4EALDH1A1TDP1
Hydrochloric Acid SCHEMBL11412105 0.82 SIGMAR1 (0.67) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL23309796 0.81 SIGMAR1 (1.00) SIGMAR1EBPKDM4EALDH1A1TDP1
Tridemorph SCHEMBL28670 0.81 SIGMAR1 (1.00) SIGMAR1EBPKDM4EALDH1A1TDP1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1528925-B1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-04-22 EP claimed
US-7504408-B2 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2009-03-17 US claimed
US-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2005-11-10 US claimed
EP-1528925-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2005-05-11 EP claimed
WO-2004004732-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2004-01-15 WO claimed
US-7504408-B2 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2009-03-17 US disclosed
US-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2005-11-10 US disclosed
EP-1528925-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2005-05-11 EP disclosed
WO-2004004732-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2004-01-15 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-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer TPD52L2, NQO2, CCNI SIGMAR1 360/4885EBP 3668/4885KDM4E 1320/4885

“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.