SCHEMBL505890

SCHEMBL505890

COc1cc(C(=N)N)ccc1NCc1nc2cc(C(=O)N(CCC(=O)O)c3ccccc3)ccc2n1C

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.80

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
Hydrochloric Acid SCHEMBL6780913 0.92 F2 (0.69) F2
SCHEMBL505827 0.91 F2 (0.81) F2
SCHEMBL505887 0.86 F2 (1.00) F2
SCHEMBL7679711 0.86 F2 (0.71) F2
Hydrochloric Acid SCHEMBL6781924 0.83 NQO2 (0.79) F2
Hydrochloric Acid SCHEMBL6781708 0.83 F2 (0.70) F2
Hydrochloric Acid SCHEMBL6779370 0.83 F2 (0.86) F2
SCHEMBL505899 0.83 F2 (1.00) F2
Hydrochloric Acid SCHEMBL6780974 0.82 F2 (0.70) F2
Hydrochloric Acid SCHEMBL6778118 0.82 F2 (0.98) F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150210778-A1 ANTICOAGULANT ANTIDOTES BOEHRINGER INGELHEIM INT (DE) 2015-07-30 US claimed
US-20130289248-A1 ANTICOAGULANT ANTIDOTES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-31 US claimed
US-20120027780-A1 ANTICOAGULANT ANTIDOTES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US claimed
WO-2011089183-A2 ANTICOAGULANT ANTIDOTES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-28 WO claimed
EP-0966454-B1 DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2003-05-07 EP claimed
US-6469039-B1 BENZIMIDAZOLES; THROMBIN- INHIBITING ACTIVITY AND THE EFFECT OF EXTENDING THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-22 US claimed
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-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-20130289248-A1 ANTICOAGULANT ANTIDOTES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-31 US disclosed
WO-2011089183-A2 ANTICOAGULANT ANTIDOTES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-28 WO disclosed
US-6710055-B2 INDOLE AND BENZIMIDAZOLE ANTITHROMBOTIC COMPOUNDS, SUCH AS 1-METHYL-2-(N-AMIDINOPHENYL)-AMINOMETHYL)-5-(N-(HYDROXYCARBO QUINOLINE-8-SULFONYLAMINO)-INDOLE BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2004-03-23 US disclosed
US-20030004181-A1 Disubstituted bicyclic heterocycles, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-01-02 US disclosed
US-6469039-B1 BENZIMIDAZOLES; THROMBIN- INHIBITING ACTIVITY AND THE EFFECT OF EXTENDING THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-22 US disclosed
US-6414008-B1 CYNAO- OR AMIDINE-SUBSTITUTED BENZIMIDAZOLES, BENOTHIAZOLES, OR BENZOXAZOLES; 2-(N-(4-AMIDINOPHENYL)AMINOMETHYL)BENZOTHIAZOLES; 2-((4-CYANOPHENYL)OXYMETHYL)IMIDAZOL(4,5-B)PYRIDINES; ANTITHROMBOTICS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-07-02 US disclosed
US-6087380-A ANTITHROMBOTIC BENZIMIDAZOLES; ANTICOAGULANTS; 2-(N-(4-AMIDINOPHENYL)-AMINOMETHYL)-BENZIMIDAZOL-5-YL-CARBOXYLIC ACIDS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-07-11 US 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 (4 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 6/4885
US-20120027780-A1 ANTICOAGULANT ANTIDOTES SERPINC1, KCNH1, ANTXR2 F2 6/4885
US-20130289248-A1 ANTICOAGULANT ANTIDOTES SERPINC1, KCNH1, ANTXR2 F2 6/4885
US-20030004181-A1 Disubstituted bicyclic heterocycles, the preparation thereof, and their use as pharmaceutical compositions F2, TFPI, FGB F2 1/4885

“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.