SCHEMBL3000755

SCHEMBL3000755

NC[C@@H]1CCCN1C(=O)c1cc2ncnc(N[C@@H](CCC(=O)O)c3nc4cc(Cl)ccc4[nH]3)c2cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.35
SLC22A12 Q96S37 1/20 0.35
AKT1 P31749 3/20 0.33
RPS6KB1 P23443 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CNR2 P34972 5/20 0.32
PRCP P42785 1/20 0.32
FABP4 P15090 1/20 0.32
PREP P48147 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
GRM5 P41594 1/20 0.32
EGFR P00533 1/20 0.31
AKT2 P31751 1/20 0.31
AKT3 Q9Y243 1/20 0.31

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
SCHEMBL8318326 0.92 AKT1 (0.35) CNR1SLC22A12AKT1RPS6KB1AURKB
SCHEMBL2995876 0.92 AKT1 (0.35) CNR1SLC22A12AKT1RPS6KB1AURKB
SCHEMBL2989821 0.91 ALDH1A1 (0.41) ALDH1A1LMNA
SCHEMBL2989823 0.91 ALDH1A1 (0.41) ALDH1A1LMNA
SCHEMBL2994832 0.90 ALDH1A1 (0.33) CNR1SLC22A12AKT1RPS6KB1AURKB
SCHEMBL2994836 0.90 ALDH1A1 (0.33) CNR1SLC22A12AKT1RPS6KB1AURKB
SCHEMBL2997480 0.90 SLC22A12 (0.35) CNR1SLC22A12AKT1RPS6KB1AURKB
SCHEMBL2997481 0.90 SLC22A12 (0.35) CNR1SLC22A12AKT1RPS6KB1AURKB
Trifluoroacetic Acid SCHEMBL4144036 0.89 ALDH1A1 (0.39) SLC22A12ALDH1A1LMNA
SCHEMBL3004192 0.89 SOS1 (0.37) CNR1SLC22A12KDM4EALDH1A1LMNA

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090075949-A1 Use of dipyridamole in combination with antithrombotics for treatment and prevention of thromboembolic diseases EISERT WOLFGANG 2009-03-19 US claimed
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 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-1583757-A1 NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-10-12 EP claimed
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-09 US claimed
WO-2004058743-A1 NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 WO claimed
US-20100184729-A1 New Pharmaceutical Compositions for Treatment of Thrombosis BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-22 US disclosed
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-07-16 US disclosed
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-07-16 US disclosed
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-07-16 US disclosed
US-20090075949-A1 Use of dipyridamole in combination with antithrombotics for treatment and prevention of thromboembolic diseases EISERT WOLFGANG 2009-03-19 US disclosed
US-20090048173-A1 Use Of Dipyridamole For Treatment Of Resistance To Platelet Inhibitors EISERT WOLFGANG 2009-02-19 US disclosed
US-20060222640-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF THROMBOSIS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-05 US disclosed
WO-2006103206-A2 COMBINATIONS COMPRISING AT LEAST ONE DIRECT THROMBIN INHIBITOR FOR THE TREATMENT OF THROMBOSIS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-05 WO disclosed
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 disclosed
WO-2005113006-A2 USE OF DIPYRIDAMOLE FOR TREATMENT OF RESISTANCE TO PLATELET INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 WO disclosed
EP-1583757-A1 NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-10-12 EP disclosed
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-09 US disclosed
WO-2004058743-A1 NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 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 (6 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-20090048173-A1 Use Of Dipyridamole For Treatment Of Resistance To Platelet Inhibitors ANXA5, F5, ANXA3 CNR1 3326/4885SLC22A12 4650/4885AKT1 4220/4885
US-20090075949-A1 Use of dipyridamole in combination with antithrombotics for treatment and prevention of thromboembolic diseases PEPD, PLAT, TFPI CNR1 2060/4885SLC22A12 4609/4885AKT1 4405/4885
US-20100184729-A1 New Pharmaceutical Compositions for Treatment of Thrombosis PROC, F12, SERPINC1 CNR1 813/4885SLC22A12 2170/4885AKT1 3214/4885
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions F11, F12, F2 CNR1 469/4885SLC22A12 2549/4885AKT1 3075/4885
US-20060222640-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF THROMBOSIS PROC, F12, SERPINC1 CNR1 813/4885SLC22A12 2170/4885AKT1 3214/4885
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 CNR1 662/4885SLC22A12 1933/4885AKT1 3073/4885

“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.