Sugi Predict

Sugi Predict / Compounds / SCHEMBL506573

SCHEMBL506573

SCHEMBL506573

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

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 19/20 0.80
▸ NQO2 P16083 2/20 0.80
▸ SLC22A2 O15244 1/20 0.80
▸ F10 P00742 1/20 0.80
▸ PLG P00747 1/20 0.80
▸ PLAT P00750 1/20 0.80
▸ PROC P04070 1/20 0.80
▸ HPN P05981 1/20 0.80
▸ PRSS1 P07477 1/20 0.80
▸ PRSS2 P07478 1/20 0.80
▸ PRSS3 P35030 1/20 0.80
▸ SLC47A2 Q86VL8 1/20 0.80
▸ SLC47A1 Q96FL8 1/20 0.80
▸ 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
Oxalic Acid SCHEMBL13740918 0.98 F2 (0.78) F2NQO2SLC22A2F10PLG
SCHEMBL20211338 0.97 F2 (0.76) F2NQO2SLC22A2F10PLG
SCHEMBL15413481 0.95 F2 (0.73) F2NQO2SLC22A2F10PLG
Oxalic Acid SCHEMBL1602438 0.94 F2 (0.71) F2NQO2SLC22A2F10PLG
SCHEMBL6779120 0.93 NQO2 (0.71) F2NQO2SLC22A2F10PLG
SCHEMBL18696932 0.93 F2 (0.70) F2NQO2SLC22A2F10PLG
Maleic Acid SCHEMBL15415352 0.92 F2 (0.69) F2NQO2SLC22A2F10PLG
Nitric Acid SCHEMBL17028813 0.92 F2 (0.68) F2NQO2SLC22A2F10PLG
SCHEMBL15744890 0.92 F2 (0.67) F2NQO2SLC22A2F10PLG
SCHEMBL505917 0.91 NQO2 (0.82) 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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112641773-A Composition containing heterocyclic compound and use thereof 黄泳华 2021-04-13 — — CN claimed
CN-111265668-A Composition comprising a histamine release-promoting substance and an inhibitory compound 黄泳华 2020-06-12 — — CN claimed
CN-111202734-A Compositions containing mixtures of benzimidazole derivatives and their use 黄泳华 2020-05-29 — — CN claimed
EP-2834224-B1 PROCESS FOR THE PREPARATION OF BENZIMIDAZOLE DERIVATIVES AND SALTS THEREOF MSN LAB LTD (IN) 2018-06-06 — — EP claimed
CN-112641773-A Composition containing heterocyclic compound and use thereof 黄泳华 2021-04-13 — — CN disclosed
CN-111265668-A Composition comprising a histamine release-promoting substance and an inhibitory compound 黄泳华 2020-06-12 — — CN disclosed
CN-111202734-A Compositions containing mixtures of benzimidazole derivatives and their use 黄泳华 2020-05-29 — — CN disclosed
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
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-20110224441-A1 METHOD FOR THE PREPARATION OF DABIGATRAN AND ITS INTERMEDIATES ZENTIVA K.S. (CZ) 2011-09-15 — — 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
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 (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-20110224441-A1 METHOD FOR THE PREPARATION OF DABIGATRAN AND ITS INTERMEDIATES VKORC1L1, VKORC1, CYP2C9 F2 7/4885NQO2 632/4885SLC22A2 3465/4885
US-20150210778-A1 ANTICOAGULANT ANTIDOTES SERPINC1, KCNH1, ANTXR2 F2 6/4885NQO2 810/4885SLC22A2 3620/4885
US-20030004181-A1 Disubstituted bicyclic heterocycles, the preparation thereof, and their use as pharmaceutical compositions F2, TFPI, FGB F2 1/4885NQO2 717/4885SLC22A2 3753/4885

“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.