SCHEMBL3000004

SCHEMBL3000004

O=C(O)CCC(Nc1ncnc2cc(C(=O)N3CCCC3)c(Cl)cc12)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.37
HRH4 Q9H3N8 3/20 0.36
HRH3 Q9Y5N1 1/20 0.36
EGFR P00533 1/20 0.36
AKT1 P31749 3/20 0.35
RPS6KB1 P23443 1/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
CNR2 P34972 2/20 0.34
AKT2 P31751 1/20 0.34
AKT3 Q9Y243 1/20 0.34
CDK1 P06493 2/20 0.33
MAPK8 P45983 1/20 0.33
MAPK10 P53779 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33

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
SCHEMBL2996587 1.00 CNR1 (0.37) CNR1HRH4HRH3EGFRAKT1
SCHEMBL4140985 0.93 HRH4 (0.38) CNR1HRH4HRH3EGFRAKT1
SCHEMBL8317288 0.92 CNR1 (0.36) CNR1HRH4EGFRAKT1RPS6KB1
SCHEMBL4150804 0.92 CNR1 (0.34) CNR1HRH4HRH3EGFRAKT1
SCHEMBL4148837 0.91 CCKBR (0.34) CNR1HRH4HRH3EGFRCNR2
SCHEMBL2995799 0.91 ALDH1A1 (0.36) HRH4HRH3EGFRCDK1
SCHEMBL4148831 0.90 ALDH1A1 (0.35) CNR1HRH4HRH3EGFRCNR2
SCHEMBL3004953 0.90 KMT2A (0.36) CNR1HRH4HRH3EGFRPOLB
SCHEMBL2991707 0.90 HRH4 (0.40) CNR1HRH4HRH3HPGDCNR2
SCHEMBL2990284 0.90 CNR1 (0.41) CNR1HRH4HRH3EGFRCNR2

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 27 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-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
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 3326/4885HRH4 349/4885HRH3 331/4885
US-20090075949-A1 Use of dipyridamole in combination with antithrombotics for treatment and prevention of thromboembolic diseases PEPD, PLAT, TFPI CNR1 2060/4885HRH4 1407/4885HRH3 1305/4885
US-20100184729-A1 New Pharmaceutical Compositions for Treatment of Thrombosis PROC, F12, SERPINC1 CNR1 813/4885HRH4 235/4885HRH3 242/4885
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions F11, F12, F2 CNR1 469/4885HRH4 1414/4885HRH3 963/4885
US-20060222640-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF THROMBOSIS PROC, F12, SERPINC1 CNR1 813/4885HRH4 235/4885HRH3 242/4885
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 CNR1 662/4885HRH4 877/4885HRH3 457/4885

“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.