SCHEMBL811367

SCHEMBL811367

Brn1[c]nc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.39
MAPK1 P28482 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 4/20 0.34
ALDH1A1 P00352 4/20 0.34
SLC9A1 P19634 2/20 0.34
KEAP1 Q14145 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
THPO P40225 1/20 0.34
CYP4Z1 Q86W10 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
NOS2 P35228 1/20 0.33
HTT P42858 1/20 0.32
KDM4E B2RXH2 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 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
SCHEMBL558259 0.77 ATM (0.39) ATMMAPK1POLBMAPTALDH1A1
SCHEMBL909858 0.77 POLB (0.35) ATMMAPK1POLBMAPTALDH1A1
SCHEMBL1264258 0.73 MAPT (0.43) ATMMAPK1POLBMAPTALDH1A1
SCHEMBL75687 0.73 SLC9A1 (0.43) ATMMAPK1POLBMAPTALDH1A1
SCHEMBL407498 0.73 POLB (0.39) ATMMAPK1POLBMAPTALDH1A1
SCHEMBL2073661 0.73 POLB (0.39) ATMMAPK1POLBMAPTALDH1A1
SCHEMBL655742 0.73 POLB (0.48) ATMMAPK1POLBMAPTALDH1A1
SCHEMBL2072909 0.72 MAPK1 (0.35) ATMMAPK1POLBMAPTALDH1A1
SCHEMBL1831523 0.72 ALDH1A1 (0.42) ATMMAPK1POLBMAPTALDH1A1
SCHEMBL9165308 0.71 ALDH1A1 (0.39) ATMMAPK1POLBMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1060178-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER (US) 2003-09-03 EP claimed
US-6610707-B1 Moderate neuronal regeneration and outgrowth and can be used for treating neurological disorders arising from neurodegenerative diseases and nerve damage. PFIZER INC. 2003-08-26 US claimed
EP-1060178-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER INC. (US) 2000-12-20 EP claimed
WO-1999045006-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER INC. (US) 1999-09-10 WO claimed
EP-3131897-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2022-06-15 EP disclosed
EP-3131896-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2019-01-30 EP disclosed
US-9969724-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-15 US disclosed
US-9808445-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 US disclosed
US-20170129880-A1 FACTOR IXa INHIBITORS MERCK SHARP & DOHME LLC 2017-05-11 US disclosed
US-20170027916-A1 FACTOR IXa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-02 US disclosed
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 WO disclosed
EP-1060178-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER (US) 2003-09-03 EP disclosed
US-6610707-B1 Moderate neuronal regeneration and outgrowth and can be used for treating neurological disorders arising from neurodegenerative diseases and nerve damage. PFIZER INC. 2003-08-26 US disclosed
EP-1060178-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER INC. (US) 2000-12-20 EP disclosed
WO-1999045006-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER INC. (US) 1999-09-10 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-20170129880-A1 FACTOR IXa INHIBITORS F9, F12, TFPI ATM 3171/4885MAPK1 3538/4885POLB 2715/4885
US-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 ATM 4463/4885MAPK1 2917/4885POLB 442/4885
US-20170027916-A1 FACTOR IXa INHIBITORS F9, F12, TFPI ATM 3171/4885MAPK1 3538/4885POLB 2715/4885

“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.