SCHEMBL4843675

SCHEMBL4843675

c1ccc(OC[C@H]2CNCCN2)cc1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 12/20 0.78
TDP1 Q9NUW8 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL3015826 1.00 LTA4H (0.78) LTA4HTDP1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL4320101 0.98 LTA4H (0.76) LTA4HTDP1SLC6A2SLC6A4SLC6A3
SCHEMBL13809113 0.94 LTA4H (0.74) LTA4HSLC6A2SLC6A4SLC6A3
SCHEMBL19114194 0.85 LTA4H (0.57) LTA4HTDP1
SCHEMBL4842649 0.83 LTA4H (0.57) LTA4HSLC6A4
SCHEMBL4975539 0.83 LTA4H (0.57) LTA4HSLC6A4
SCHEMBL4842637 0.83 LTA4H (0.57) LTA4HSLC6A4
SCHEMBL27415575 0.83 LTA4H (0.61) LTA4HSLC6A2SLC6A4
SCHEMBL15645221 0.83 LTA4H (0.65) LTA4H
SCHEMBL15645223 0.83 LTA4H (0.65) LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900666-B1 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C CANCER RESEARCH TECH LTD (GB) 2020-11-04 EP disclosed
EP-2900666-B1 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C CANCER RESEARCH TECH LTD (GB) 2020-11-04 EP disclosed
US-9914730-B2 Azaquinazoline inhibitors of Atypical protein Kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-03-13 US disclosed
US-9914730-B2 Azaquinazoline inhibitors of Atypical protein Kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-03-13 US disclosed
US-9896446-B2 Azaquinazoline inhibitors of atypical protein kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-02-20 US disclosed
US-9896446-B2 Azaquinazoline inhibitors of atypical protein kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-02-20 US disclosed
US-20160102094-A1 Azaquinazoline Inhibitors of Atypical Protein Kinase C IGNYTA, INC. (US) 2016-04-14 US disclosed
US-20160102094-A1 Azaquinazoline Inhibitors of Atypical Protein Kinase C IGNYTA, INC. (US) 2016-04-14 US disclosed
CN-105102456-A Azaquinazoline inhibitors of atypical protein kinase C IGNYTA INC 2015-11-25 CN disclosed
EP-2900666-A1 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C Ignyta, Inc. (US) 2015-08-05 EP disclosed
WO-2014052699-A9 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C IGNYTA, INC. (US) 2015-07-16 WO disclosed
WO-2014052699-A9 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C IGNYTA, INC. (US) 2015-07-16 WO disclosed
US-20140113882-A1 Azaquinazoline Inhibitors of Atypical Protein Kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2014-04-24 US disclosed
US-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
EP-1546134-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES LILLY CO ELI (US) 2007-05-02 EP disclosed
US-20060084643-A1 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY 2006-04-20 US disclosed
EP-1546134-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES ELI LILLY AND COMPANY (US) 2005-06-29 EP disclosed
WO-2004014895-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES ELI LILLY AND COMPANY (US) 2004-02-19 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 (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-20160102094-A1 Azaquinazoline Inhibitors of Atypical Protein Kinase C PRKCQ, PRKCZ, PRKCE LTA4H 4622/4885TDP1 1821/4885SLC6A2 4635/4885
US-20140113882-A1 Azaquinazoline Inhibitors of Atypical Protein Kinase C PRKCQ, PRKCZ, PRKCE LTA4H 4659/4885TDP1 1720/4885SLC6A2 4598/4885
US-20060084643-A1 Piperazine substituted aryl benzodiazepines GABBR1, GABBR2, GABRA5 LTA4H 4238/4885TDP1 2890/4885SLC6A2 247/4885

“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.