SCHEMBL506734

SCHEMBL506734

Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C(=O)N(CCC(=O)NCCN)c3ccccn3)ccc21

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.82
NQO2 P16083 2/20 0.82
SLC22A2 O15244 1/20 0.82
F10 P00742 1/20 0.82
PLG P00747 1/20 0.82
PLAT P00750 1/20 0.82
PROC P04070 1/20 0.82
HPN P05981 1/20 0.82
PRSS1 P07477 1/20 0.82
PRSS2 P07478 1/20 0.82
PRSS3 P35030 1/20 0.82
SLC47A2 Q86VL8 1/20 0.82
SLC47A1 Q96FL8 1/20 0.82
NR1I2 O75469 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
SLC6A2 P23975 1/20 0.58
AGTR1 P30556 1/20 0.58
SLC6A3 Q01959 1/20 0.58
SCN5A Q14524 1/20 0.58

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
SCHEMBL13562741 0.95 F2 (0.79) F2NQO2SLC22A2F10PLG
SCHEMBL28404491 0.90 F2 (0.91) F2NQO2SLC22A2F10PLG
Dabigatran SCHEMBL30038681 0.90 F2 (1.00) F2NQO2SLC22A2F10PLG
Dabigatran SCHEMBL3573 0.90 F2 (1.00) F2NQO2SLC22A2F10PLG
Dabigatran SCHEMBL29582891 0.90 F2 (1.00) F2NQO2SLC22A2F10PLG
SCHEMBL14903585 0.90 F2 (0.89) F2NQO2SLC22A2F10PLG
Dabigatran SCHEMBL15152349 0.90 F2 (0.98) F2NQO2SLC22A2F10PLG
Dabigatran SCHEMBL21768719 0.90 F2 (0.98) F2NQO2SLC22A2F10PLG
Dabigatran SCHEMBL29045198 0.90 F2 (0.98) F2NQO2SLC22A2F10PLG
Dabigatran SCHEMBL27982835 0.90 F2 (0.98) F2NQO2SLC22A2F10PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3195876-A1 ANTICOAGULANT ANTIDOTES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-07-26 EP disclosed
EP-2525812-B1 ANTICOAGULANT ANTIDOTES BOEHRINGER INGELHEIM INT (DE) 2017-01-18 EP disclosed
US-20150210778-A1 ANTICOAGULANT ANTIDOTES BOEHRINGER INGELHEIM INT (DE) 2015-07-30 US disclosed
US-20150210778-A1 ANTICOAGULANT ANTIDOTES BOEHRINGER INGELHEIM INT (DE) 2015-07-30 US disclosed
US-9034822-B2 Methods of using antibodies during anticoagulant therapy of dabigatran and/or related compounds BOEHRINGER IGELHEIM INTERNATIONAL GMBH (DE) 2015-05-19 US disclosed
US-20140377265-A1 ANTICOAGULANT ANTIDOTES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-25 US disclosed
US-8821871-B2 Anticoagulant antidotes comprising antibodies that bind dabigatran and/or related compounds and methods of use thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 US disclosed
US-20130289248-A1 ANTICOAGULANT ANTIDOTES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-31 US disclosed
US-8486398-B2 Anticoagulant antidotes comprising antibodies that bind dabigatran and/or related compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-16 US disclosed
US-20120276123-A1 ANTICOAGULANT ANTIDOTES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-01 US disclosed
WO-2012130834-A1 ANTICOAGULANT ANTIDOTES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-04 WO disclosed
US-20120027780-A1 ANTICOAGULANT ANTIDOTES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
US-20120027780-A1 ANTICOAGULANT ANTIDOTES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
WO-2011089183-A2 ANTICOAGULANT ANTIDOTES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-28 WO disclosed
WO-2011089183-A2 ANTICOAGULANT ANTIDOTES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-28 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 (5 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-20150210778-A1 ANTICOAGULANT ANTIDOTES SERPINC1, KCNH1, ANTXR2 F2 6/4885NQO2 810/4885SLC22A2 3620/4885
US-20120027780-A1 ANTICOAGULANT ANTIDOTES SERPINC1, KCNH1, ANTXR2 F2 6/4885NQO2 810/4885SLC22A2 3620/4885
US-20140377265-A1 ANTICOAGULANT ANTIDOTES SERPINC1, KCNH1, ANTXR2 F2 6/4885NQO2 810/4885SLC22A2 3620/4885
US-20130289248-A1 ANTICOAGULANT ANTIDOTES SERPINC1, KCNH1, ANTXR2 F2 6/4885NQO2 810/4885SLC22A2 3620/4885
US-20120276123-A1 ANTICOAGULANT ANTIDOTES SERPINC1, KCNH1, ANTXR2 F2 6/4885NQO2 810/4885SLC22A2 3620/4885

“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.