SCHEMBL5951899

SCHEMBL5951899

COc1ccc(-c2ccc3nc(-c4[nH]nc5ccccc45)[nH]c3c2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.55
EPHX2 P34913 1/20 0.55
CHEK1 O14757 3/20 0.54
GUSB P08236 2/20 0.53
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.47
PDE10A Q9Y233 1/20 0.46
CDK4 P11802 3/20 0.45
CCND1 P24385 3/20 0.45
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
CCNA2 P20248 2/20 0.45
CDK2 P24941 2/20 0.45
CCND3 P30281 2/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45

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
SCHEMBL5952412 0.91 CHEK1 (0.52) ALOX5EPHX2CHEK1GUSBKDM4E
SCHEMBL5952470 0.87 NPC1 (0.55) CHEK1GUSBKDM4EALDH1A1HPGD
SCHEMBL5951585 0.85 NPC1 (0.54) CHEK1KDM4EALDH1A1HPGDNPC1
SCHEMBL5952146 0.84 PDE10A (0.53) CHEK1KDM4EALDH1A1HPGDNPC1
SCHEMBL4916396 0.84 PDE10A (0.53) CHEK1KDM4EALDH1A1HPGDNPC1
SCHEMBL5952686 0.83 NPC1 (0.50) CHEK1KDM4EALDH1A1NPC1PDE10A
SCHEMBL5951759 0.82 PDE10A (0.49) CHEK1KDM4EALDH1A1HPGDNPC1
SCHEMBL5951740 0.82 PDE10A (0.49) CHEK1KDM4EALDH1A1HPGDNPC1
SCHEMBL5953158 0.81 PDE10A (0.51) CHEK1KDM4EALDH1A1HPGDNPC1
SCHEMBL5951223 0.81 MEN1 (0.50) CHEK1GUSBKDM4EALDH1A1HPGD

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-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US claimed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US claimed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP claimed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US claimed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO claimed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-29 US disclosed
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-29 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 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 (3 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 ALOX5 2754/4885EPHX2 1457/4885CHEK1 286/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A ALOX5 3266/4885EPHX2 1687/4885CHEK1 321/4885
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 ALOX5 848/4885EPHX2 2678/4885CHEK1 423/4885

“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.