SCHEMBL3000544

SCHEMBL3000544

Cc1cc2c(NCc3cc(C(=N)NO)ccc3O)ncnc2cc1C(=O)N1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 7/20 0.40
PDE5A O76074 5/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
APP P05067 1/20 0.34
PPARG P37231 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NR2E3 Q9Y5X4 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
USP2 O75604 2/20 0.34
CYP1A2 P05177 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EGFR P00533 2/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 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
SCHEMBL2991625 0.91 F10 (0.41) CDK1PDE5AALDH1A1HPGDHTT
SCHEMBL6327115 0.89 CDK1 (0.37) CDK1PDE5AALDH1A1HPGDHTT
SCHEMBL2995881 0.86 PDE5A (0.36) CDK1PDE5AALDH1A1HPGDHTT
SCHEMBL6324414 0.86 EGFR (0.39) CDK1PDE5AALDH1A1HPGDHTT
SCHEMBL8312292 0.82 CDK1 (0.36) CDK1PDE5AALDH1A1HPGDHTT
SCHEMBL2995398 0.81 CDK1 (0.42) CDK1PDE5AALDH1A1HPGDHTT
SCHEMBL6322214 0.80 CDK1 (0.39) CDK1PDE5AALDH1A1HPGDHTT
SCHEMBL8308730 0.79 PDE5A (0.36) CDK1PDE5AALDH1A1HPGDHTT
SCHEMBL8309844 0.79 CDK1 (0.34) CDK1PDE5AALDH1A1HPGDHTT
SCHEMBL3000533 0.78 HPGD (0.33) ALDH1A1HPGDHTTLMNAMEN1

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 15 patents. 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
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
US-20100184729-A1 New Pharmaceutical Compositions for Treatment of Thrombosis BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-22 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
EP-1885354-A2 COMBINATIONS COMPRISING AT LEAST ONE DIRECT THROMBIN INHIBITOR FOR THE TREATMENT OF THROMBOSIS Boehringer Ingelheim International GmbH (DE) 2008-02-13 EP disclosed
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 disclosed
EP-1747016-A2 USE OF DIPYRIDAMOLE FOR TREATMENT OF RESISTANCE TO PLATELET INHIBITORS Boehringer Ingelheim International GmbH (DE) 2007-01-31 EP 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
US-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-19 US disclosed
WO-2004080970-A1 NOVEL BICYCLIC AROMATIC COMPOUNDS, THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-09-23 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 (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-20090048173-A1 Use Of Dipyridamole For Treatment Of Resistance To Platelet Inhibitors ANXA5, F5, ANXA3 CDK1 2730/4885PDE5A 2135/4885ALDH1A1 3876/4885
US-20090075949-A1 Use of dipyridamole in combination with antithrombotics for treatment and prevention of thromboembolic diseases PEPD, PLAT, TFPI CDK1 2174/4885PDE5A 40/4885ALDH1A1 1111/4885
US-20100184729-A1 New Pharmaceutical Compositions for Treatment of Thrombosis PROC, F12, SERPINC1 CDK1 1477/4885PDE5A 1260/4885ALDH1A1 4552/4885
US-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions F12, F2, F11 CDK1 170/4885PDE5A 569/4885ALDH1A1 1078/4885
US-20060222640-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF THROMBOSIS PROC, F12, SERPINC1 CDK1 1477/4885PDE5A 1260/4885ALDH1A1 4552/4885

“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.