SCHEMBL2994832

SCHEMBL2994832

C[S+]([O-])CCC(Nc1ncnc2cc(C(=O)N3CCC[C@@H]3CN)c(Cl)cc12)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
BTK Q06187 6/20 0.32
CYP3A4 P08684 1/20 0.32
GRM5 P41594 1/20 0.32
EGFR P00533 1/20 0.32
SOS1 Q07889 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
FABP4 P15090 1/20 0.31
RPS6KB1 P23443 1/20 0.31
AKT1 P31749 1/20 0.31
AURKB Q96GD4 1/20 0.31
INCENP Q9NQS7 1/20 0.31
PREP P48147 1/20 0.31
HSD11B1 P28845 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL2994836 1.00 ALDH1A1 (0.33) ALDH1A1LMNAKDM4EHSD17B10SLC22A12
SCHEMBL13772627 0.93 BTK (0.34) ALDH1A1LMNAKDM4EHSD17B10BTK
SCHEMBL2989823 0.90 ALDH1A1 (0.41) ALDH1A1LMNACYP3A4
SCHEMBL2989821 0.90 ALDH1A1 (0.41) ALDH1A1LMNACYP3A4
SCHEMBL3000755 0.90 CNR1 (0.35) ALDH1A1LMNAKDM4EHSD17B10SLC22A12
SCHEMBL8318326 0.90 AKT1 (0.35) ALDH1A1LMNAKDM4EHSD17B10SLC22A12
SCHEMBL2995876 0.90 AKT1 (0.35) ALDH1A1LMNAKDM4EHSD17B10SLC22A12
SCHEMBL2997481 0.90 SLC22A12 (0.35) ALDH1A1LMNAKDM4EHSD17B10SLC22A12
SCHEMBL2997480 0.90 SLC22A12 (0.35) ALDH1A1LMNAKDM4EHSD17B10SLC22A12
SCHEMBL3000764 0.89 HRH4 (0.35) ALDH1A1LMNABTKEGFRCNR1

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 9 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
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
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-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
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

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 ALDH1A1 3876/4885LMNA 3758/4885KDM4E 2980/4885
US-20090075949-A1 Use of dipyridamole in combination with antithrombotics for treatment and prevention of thromboembolic diseases PEPD, PLAT, TFPI ALDH1A1 1111/4885LMNA 2418/4885KDM4E 2552/4885
US-20100184729-A1 New Pharmaceutical Compositions for Treatment of Thrombosis PROC, F12, SERPINC1 ALDH1A1 4552/4885LMNA 2540/4885KDM4E 4751/4885
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions F11, F12, F2 ALDH1A1 2355/4885LMNA 774/4885KDM4E 4499/4885
US-20060222640-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF THROMBOSIS PROC, F12, SERPINC1 ALDH1A1 4552/4885LMNA 2540/4885KDM4E 4751/4885
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 ALDH1A1 3364/4885LMNA 323/4885KDM4E 4456/4885

“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.