SCHEMBL505887

SCHEMBL505887

Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C(=O)N(CCC(=O)O)c3ccccc3)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 1.00
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
NQO2 P16083 1/20 0.82
PRSS3 P35030 1/20 0.82
SLC47A2 Q86VL8 1/20 0.82
SLC47A1 Q96FL8 1/20 0.82

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
SCHEMBL505899 0.96 F2 (1.00) F2SLC22A2F10PLGPLAT
Hydrochloric Acid SCHEMBL6778118 0.95 F2 (0.98) F2SLC22A2F10PLGPLAT
SCHEMBL506727 0.94 F2 (0.89) F2SLC22A2F10PLGPLAT
Hydrochloric Acid SCHEMBL6784210 0.94 F2 (0.88) F2SLC22A2F10PLGPLAT
SCHEMBL19157120 0.93 F2 (0.87) F2SLC22A2F10PLGPLAT
SCHEMBL6785205 0.93 F2 (0.86) F2SLC22A2F10PLGPLAT
Hydrochloric Acid SCHEMBL6779370 0.93 F2 (0.86) F2SLC22A2F10PLGPLAT
SCHEMBL506323 0.93 F2 (0.88) F2SLC22A2F10PLGPLAT
SCHEMBL6778979 0.92 F2 (0.85) F2SLC22A2F10PLGPLAT
SCHEMBL506575 0.92 F2 (1.00) F2SLC22A2F10PLGPLAT

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 29 patents — showing the first 20. 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
US-20090075949-A1 Use of dipyridamole in combination with antithrombotics for treatment and prevention of thromboembolic diseases EISERT WOLFGANG 2009-03-19 US claimed
EP-1807086-A1 USE OF DIPYRIDAMOLE IN COMBINATION WITH ANTITHROMBOTICS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISEASES Boehringer Ingelheim International GmbH (DE) 2007-07-18 EP claimed
WO-2006045756-A1 USE OF DIPYRIDAMOLE IN COMBINATION WITH ANTITHROMBOTICS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-04 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
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-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
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 (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 6/4885SLC22A2 3620/4885F10 27/4885
US-20120027780-A1 ANTICOAGULANT ANTIDOTES SERPINC1, KCNH1, ANTXR2 F2 6/4885SLC22A2 3620/4885F10 27/4885
US-20130289248-A1 ANTICOAGULANT ANTIDOTES SERPINC1, KCNH1, ANTXR2 F2 6/4885SLC22A2 3620/4885F10 27/4885
US-20090075949-A1 Use of dipyridamole in combination with antithrombotics for treatment and prevention of thromboembolic diseases PEPD, PLAT, TFPI F2 8/4885SLC22A2 4555/4885F10 51/4885
US-20030004181-A1 Disubstituted bicyclic heterocycles, the preparation thereof, and their use as pharmaceutical compositions F2, TFPI, FGB F2 1/4885SLC22A2 3753/4885F10 54/4885

“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.