SCHEMBL4023892

SCHEMBL4023892

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

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.64
EBP Q15125 1/20 0.64
KDM4E B2RXH2 8/20 0.45
ALDH1A1 P00352 7/20 0.45
TDP1 Q9NUW8 2/20 0.45
KMT2A Q03164 3/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.42
MEN1 O00255 2/20 0.40
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL4021409 0.93 SIGMAR1 (0.68) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL296970 0.88 SIGMAR1 (0.55) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL296048 0.88 SIGMAR1 (0.55) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL296969 0.88 SIGMAR1 (0.55) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL4024634 0.88 SIGMAR1 (0.55) SIGMAR1EBPKDM4EALDH1A1TDP1
Hydrochloric Acid SCHEMBL11412105 0.84 SIGMAR1 (0.67) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL8283672 0.82 SIGMAR1 (0.84) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL10138821 0.82 SIGMAR1 (0.84) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL8283678 0.82 SIGMAR1 (0.84) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL8283684 0.82 SIGMAR1 (0.84) 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 16 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
EP-1528925-B1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-04-22 EP disclosed
US-7504408-B2 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2009-03-17 US disclosed
US-7504416-B2 4-substituted quinolines as antitumor agents ASTRAZENECA AB (SE) 2009-03-17 US disclosed
US-20080027054-A1 4-Substituted quinolines as antitumor agents ASTRAZENECA AB 2008-01-31 US disclosed
US-7253184-B2 4-Substituted quinolines as antitumor agents ASTRAZENECA AB (SE) 2007-08-07 US disclosed
US-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2005-11-10 US disclosed
US-20050101630-A1 4-Substituted quinolines as antitumor agents ASTRAZENECA AB (SE) 2005-05-12 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
EP-1337513-A1 4-SUBSTITUTED QUINOLINES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2003-08-27 EP disclosed
WO-2002036570-A1 4-SUBSTITUTED QUINOLINES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2002-05-10 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 (3 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-20080027054-A1 4-Substituted quinolines as antitumor agents CCNY, TPD52L2, H1-10 SIGMAR1 837/4885EBP 3101/4885KDM4E 687/4885
US-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer TPD52L2, NQO2, CCNI SIGMAR1 360/4885EBP 3668/4885KDM4E 1320/4885
US-20050101630-A1 4-Substituted quinolines as antitumor agents NQO2, TPD52L2, MLX SIGMAR1 592/4885EBP 3612/4885KDM4E 929/4885

“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.