SCHEMBL5952897

SCHEMBL5952897

c1cc2[nH]c(-c3n[nH]c4c3CNCC4)nc2cc1OCCN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.47
RUNX1 Q01196 3/20 0.46
LTA4H P09960 1/20 0.44
PARP1 P09874 1/20 0.43
FGFR1 P11362 3/20 0.43
PDGFRB P09619 2/20 0.43
KDR P35968 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
FLT1 P17948 1/20 0.42
PDGFRA P16234 1/20 0.41
SYK P43405 1/20 0.40
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAOA P21397 1/20 0.40
SRC P12931 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
CHEK1 O14757 1/20 0.39

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
SCHEMBL5952294 0.79 FGFR1 (0.65) ACHERUNX1LTA4HFGFR1PDGFRB
SCHEMBL5952533 0.79 ACHE (0.43) ACHERUNX1LTA4HPARP1FGFR1
SCHEMBL5953288 0.79 ACHE (0.43) ACHERUNX1LTA4HPARP1FGFR1
SCHEMBL21017211 0.73 ACHE (0.74) ACHERUNX1LTA4H
SCHEMBL14224680 0.71 ACHE (0.54) ACHERUNX1LTA4HFGFR1PDGFRB
SCHEMBL17525972 0.70 RUNX1 (0.86) ACHERUNX1LTA4HFGFR1PDGFRB
SCHEMBL21018063 0.70 ACHE (0.82) ACHERUNX1LTA4HFGFR1PDGFRB
SCHEMBL3382470 0.70 KDR (0.60) ACHERUNX1LTA4HPARP1FGFR1
SCHEMBL17525965 0.70 RUNX1 (0.87) ACHERUNX1LTA4HFGFR1PDGFRB
SCHEMBL17525973 0.69 RUNX1 (0.68) ACHERUNX1LTA4HFGFR1PDGFRB

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 13 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-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 (2 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 ACHE 1685/4885RUNX1 3214/4885LTA4H 1675/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A ACHE 2505/4885RUNX1 2068/4885LTA4H 1892/4885

“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.