SCHEMBL2995316

SCHEMBL2995316

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
ERBB2 P04626 5/20 0.36
ITGAV P06756 1/20 0.34
ITGA5 P08648 1/20 0.34
ITGB6 P18564 1/20 0.34
CNR1 P21554 4/20 0.34
CNR2 P34972 3/20 0.34
KDR P35968 2/20 0.34
PYGL P06737 1/20 0.34
EGFR P00533 6/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 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
SCHEMBL2995802 0.92 CNR1 (0.40) CNR1CNR2EGFR
SCHEMBL2997122 0.91 EGFR (0.34) CNR1CNR2EGFR
SCHEMBL2994428 0.91 CNR1 (0.35) ERBB2CNR1CNR2EGFR
SCHEMBL2994915 0.90 CNR1 (0.35) TP53HTTCNR1CNR2KDR
SCHEMBL3002740 0.89 HRH4 (0.36) ERBB2ITGAVITGA5ITGB6CNR1
SCHEMBL8324150 0.89 HRH4 (0.36) ERBB2ITGAVITGA5ITGB6CNR1
SCHEMBL3002744 0.89 HRH4 (0.36) ERBB2ITGAVITGA5ITGB6CNR1
SCHEMBL2995314 0.89 ALDH1A1 (0.36) ERBB2CNR1CNR2EGFRALDH1A1
SCHEMBL2998706 0.89 CNR1 (0.37) CNR1CNR2EGFR
SCHEMBL2995799 0.89 ALDH1A1 (0.36) EGFRALDH1A1LMNAHDAC3HDAC4

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 25 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
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
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-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 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
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 TP53 3531/4885GAA 2117/4885HTT 92/4885
US-20090075949-A1 Use of dipyridamole in combination with antithrombotics for treatment and prevention of thromboembolic diseases PEPD, PLAT, TFPI TP53 4618/4885GAA 1352/4885HTT 2038/4885
US-20100184729-A1 New Pharmaceutical Compositions for Treatment of Thrombosis PROC, F12, SERPINC1 TP53 4483/4885GAA 1713/4885HTT 3537/4885
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions F11, F12, F2 TP53 4776/4885GAA 2024/4885HTT 3142/4885
US-20060222640-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF THROMBOSIS PROC, F12, SERPINC1 TP53 4483/4885GAA 1713/4885HTT 3537/4885
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 TP53 4746/4885GAA 2665/4885HTT 3322/4885

“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.