SCHEMBL2995070

SCHEMBL2995070

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

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.32
CNR2 P34972 6/20 0.32
SLC22A12 Q96S37 1/20 0.32
BTK Q06187 3/20 0.31
CYP3A4 P08684 1/20 0.31
FABP4 P15090 1/20 0.31
EGFR P00533 2/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HCRTR2 O43614 2/20 0.30
HCRTR1 O43613 1/20 0.30
ERBB2 P04626 1/20 0.30
RPS6KB1 P23443 1/20 0.30
AKT1 P31749 1/20 0.30
AURKB Q96GD4 1/20 0.30
INCENP Q9NQS7 1/20 0.30
PREP P48147 1/20 0.30

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
SCHEMBL2995074 1.00 CNR1 (0.32) CNR1CNR2SLC22A12BTKCYP3A4
SCHEMBL13772637 0.91 CNR1 (0.33) CNR1CNR2SLC22A12BTKCYP3A4
SCHEMBL2997481 0.91 SLC22A12 (0.35) CNR1CNR2SLC22A12EGFRALDH1A1
SCHEMBL2997480 0.91 SLC22A12 (0.35) CNR1CNR2SLC22A12EGFRALDH1A1
SCHEMBL14073989 0.89 CNR1 (0.33) CNR1CNR2SLC22A12EGFRALDH1A1
SCHEMBL2995073 0.88 SLC22A12 (0.40) CNR1CNR2SLC22A12ALDH1A1LMNA
SCHEMBL3003494 0.86 HRH4 (0.35) CNR1CNR2EGFRALDH1A1LMNA
SCHEMBL3003491 0.86 HRH4 (0.35) CNR1CNR2EGFRALDH1A1LMNA
SCHEMBL14073795 0.85 MAP4K4 (0.34) CNR1CNR2SLC22A12BTK
SCHEMBL3000286 0.84 SLC22A12 (0.36) CNR1SLC22A12EGFRALDH1A1LMNA

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 10 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-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
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 CNR1 3326/4885CNR2 3114/4885SLC22A12 4650/4885
US-20090075949-A1 Use of dipyridamole in combination with antithrombotics for treatment and prevention of thromboembolic diseases PEPD, PLAT, TFPI CNR1 2060/4885CNR2 2079/4885SLC22A12 4609/4885
US-20100184729-A1 New Pharmaceutical Compositions for Treatment of Thrombosis PROC, F12, SERPINC1 CNR1 813/4885CNR2 344/4885SLC22A12 2170/4885
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions F11, F12, F2 CNR1 469/4885CNR2 1208/4885SLC22A12 2549/4885
US-20060222640-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF THROMBOSIS PROC, F12, SERPINC1 CNR1 813/4885CNR2 344/4885SLC22A12 2170/4885
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 CNR1 662/4885CNR2 1155/4885SLC22A12 1933/4885

“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.