SCHEMBL1469872

SCHEMBL1469872

CC1CN(CCCO)CC(C)O1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.62
EBP Q15125 1/20 0.62
KDM4E B2RXH2 9/20 0.44
ALDH1A1 P00352 6/20 0.44
POLB P06746 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
HTT P42858 3/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
PDK1 Q15118 1/20 0.41
MEN1 O00255 1/20 0.40
BLM P54132 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL1469874 1.00 SIGMAR1 (0.62) SIGMAR1EBPKDM4EALDH1A1POLB
SCHEMBL4021413 0.94 SIGMAR1 (0.66) SIGMAR1EBPKDM4EALDH1A1POLB
SCHEMBL11131491 0.92 SIGMAR1 (0.69) SIGMAR1EBPKDM4EALDH1A1POLB
SCHEMBL9449900 0.92 SIGMAR1 (0.69) SIGMAR1EBPKDM4EALDH1A1POLB
SCHEMBL1564250 0.86 SIGMAR1 (0.55) SIGMAR1EBPKDM4EALDH1A1POLB
SCHEMBL296049 0.86 SIGMAR1 (0.55) SIGMAR1EBPKDM4EALDH1A1POLB
Hydrochloric Acid SCHEMBL11412105 0.82 SIGMAR1 (0.67) SIGMAR1EBPKDM4EALDH1A1POLB
SCHEMBL10138821 0.80 SIGMAR1 (0.84) SIGMAR1EBPKDM4EALDH1A1POLB
SCHEMBL8283672 0.80 SIGMAR1 (0.84) SIGMAR1EBPKDM4EALDH1A1POLB
SCHEMBL8283678 0.80 SIGMAR1 (0.84) SIGMAR1EBPKDM4EALDH1A1POLB

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 36 patents — showing the first 20. 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
JP-58125767-A None JP disclosed
US-RE42353-E1 Quinazoline derivatives and pharmaceutical compositions containing them ASTRAZENECA UK LIMITED (GB) 2011-05-10 US disclosed
US-20110071144-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 2011-03-24 US disclosed
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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 US disclosed
WO-1998013354-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1998-04-02 WO disclosed
EP-0557818-B1 Process for the preparation of N-(2-hydroxypropyl)-2,6-dimethylmorpholin BASF AG (DE) 1996-08-28 EP disclosed
US-5391734-A Preparation of N-(2-hydroxypropyl)-2,6-dimethylmorpholine BASF AKTIENGESELLSCHAFT (DE) 1995-02-21 US disclosed
EP-0557818-A2 Process for the preparation of N-(2-hydroxypropyl)-2,6-dimethylmorpholin BASF Aktiengesellschaft (DE) 1993-09-01 EP disclosed
US-5240925-A FUNGICIDAL 2-ARYL-2-CYANO-2-(HETEROCYCLYLALKYL)ETHYL-1,2,4-TRIAZOLES ROHM AND HAAS COMPANY (US) 1993-08-31 US disclosed
EP-0529973-A1 Fungicidal 2-aryl-2-cyano-2-(heterocyclylalkyl)ethyl-1,2,4-triazoles ROHM AND HAAS COMPANY (US) 1993-03-03 EP disclosed
US-4455168-A CONTAINING A HETEROCYCLIC, HYDROXY AMINE OR AMIDE RICOH COMPANY, LTD. (JP) 1984-06-19 US disclosed
JP-S58125767-A INK FOR JET RECORDING RICOH CO LTD 1983-07-26 JP 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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION GABRA5, GABRA1, GABRB1 SIGMAR1 759/4885EBP 203/4885KDM4E 2138/4885
US-20110071144-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NR5A1, NR5A2, CNKSR1 SIGMAR1 24/4885EBP 2711/4885KDM4E 3515/4885
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.