SCHEMBL7243835

SCHEMBL7243835

ONn1nnc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
MAPK1 P28482 1/20 0.55
ATM Q13315 1/20 0.55
CYP4Z1 Q86W10 10/20 0.53
SLC9A1 P19634 3/20 0.50
CYP1A2 P05177 2/20 0.50
DGAT1 O75907 1/20 0.50
KEAP1 Q14145 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
THPO P40225 1/20 0.50
CYP2C8 P10632 1/20 0.49
CYP2B6 P20813 1/20 0.49
CYP4F8 P98187 1/20 0.49
CYP4F12 Q9HCS2 1/20 0.49
KCNMA1 Q12791 1/20 0.46
MGAM O43451 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
SCHEMBL29518725 0.79 CYP4Z1 (0.57) POLBMAPK1ATMCYP4Z1SLC9A1
SCHEMBL16639135 0.79 CYP4Z1 (0.55) POLBMAPK1ATMCYP4Z1SLC9A1
SCHEMBL18833167 0.79 CYP4Z1 (0.53) POLBMAPK1ATMCYP4Z1SLC9A1
SCHEMBL5662069 0.79 CYP4Z1 (0.57) POLBMAPK1ATMCYP4Z1SLC9A1
SCHEMBL8491002 0.76 CYP4Z1 (0.50) POLBMAPK1ATMCYP4Z1SLC9A1
SCHEMBL1757403 0.76 CYP4Z1 (0.50) POLBMAPK1ATMCYP4Z1SLC9A1
SCHEMBL1757405 0.76 CYP4Z1 (0.50) POLBMAPK1ATMCYP4Z1SLC9A1
SCHEMBL9346882 0.76 CYP4Z1 (0.50) POLBMAPK1ATMCYP4Z1SLC9A1
SCHEMBL238589 0.76 CYP4Z1 (0.50) POLBMAPK1ATMCYP4Z1SLC9A1
SCHEMBL2748 0.76 CYP4Z1 (0.50) POLBMAPK1ATMCYP4Z1SLC9A1

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
CN-104245698-B Nitrogen-containing heterocyclic compound TAKEDA PHARMACEUTICAL CO.,LTD. (JP) 2016-11-30 CN disclosed
CN-105263932-A Heterocyclic compound TAKEDA PHARMACEUTICAL 2016-01-20 CN disclosed
CN-103373985-B Heterocyclic compounds and their use TAKEDA PHARMACEUTICAL CO.,LTD. (JP) 2015-10-28 CN disclosed
CN-104955824-A Aminopyrimidine compounds as inhibitors of t790m containing egfr mutants GENENTECH INC 2015-09-30 CN disclosed
CN-103261176-B 1, 4-oxazepane derivatives TAKEDA PHARMACEUTICAL 2015-06-03 CN disclosed
CN-104245698-A Nitrogen-containing heterocyclic compound TAKEDA PHARMACEUTICAL 2014-12-24 CN disclosed
CN-102123990-B Heterocyclic compounds and their use TAKEDA PHARMACEUTICAL 2014-07-09 CN disclosed
CN-103373985-A Heterocyclic compounds and their use TAKEDA PHARMACEUTICAL 2013-10-30 CN disclosed
CN-103261176-A 1, 4-oxazepane derivatives TAKAEDA CHEMICAL IND LTD 2013-08-21 CN disclosed
CN-101573357-B Indole compound TAKAEDA CHEMICAL IND LTD 2013-01-23 CN disclosed
CN-101573357-A Indole compound TAKEDA PHARMACEUTICAL (JP) 2009-11-04 CN disclosed
US-6566373-B2 For therapy of osteoporosis, periodontitis, and arthritis SMITHKLINE BEECHAM CORPORATION 2003-05-20 US disclosed
EP-1003846-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-11-13 EP disclosed
US-20020013360-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-01-31 US disclosed
EP-1003846-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-05-31 EP disclosed
WO-1998050533-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 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-20020013360-A1 Protease inhibitors CTSK, CTSV, CTSS POLB 3791/4885MAPK1 3027/4885ATM 3775/4885

“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.