SCHEMBL5952822

SCHEMBL5952822

Cc1cc2nc(-c3n[nH]c4ccc(C(=O)N(C)C)cc34)[nH]c2cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 16/20 0.51
PAK4 O96013 2/20 0.48
CDK2 P24941 1/20 0.48
MAP3K8 P41279 1/20 0.46
FGFR1 P11362 3/20 0.45
CHEK1 O14757 2/20 0.45
CLK4 Q9HAZ1 2/20 0.45
FLT1 P17948 2/20 0.45
AURKA O14965 1/20 0.45
DAPK3 O43293 1/20 0.45
JAK2 O60674 1/20 0.45
MAP4K4 O95819 1/20 0.45
ABL1 P00519 1/20 0.45
LCK P06239 1/20 0.45
RET P07949 1/20 0.45
IGF1R P08069 1/20 0.45
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
PRKACA P17612 1/20 0.45
LTK P29376 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
Hydrochloric Acid SCHEMBL5952991 0.99 FLT3 (0.50) FLT3PAK4CDK2MAP3K8FGFR1
SCHEMBL5951601 0.87 FLT3 (0.53) FLT3PAK4CDK2MAP3K8CHEK1
SCHEMBL1225453 0.86 PAK4 (0.63) FLT3PAK4CDK2FGFR1CHEK1
SCHEMBL13373872 0.84 FGFR1 (0.59) FLT3PAK4CDK2FGFR1CHEK1
SCHEMBL5952142 0.79 ITK (0.62) FLT3PAK4CDK2MAP3K8FGFR1
SCHEMBL5952153 0.79 ITK (0.55) FLT3PAK4CDK2MAP3K8FGFR1
SCHEMBL5952926 0.77 CHEK1 (0.73) FLT3PAK4CDK2FGFR1CHEK1
SCHEMBL13373947 0.77 CHEK1 (0.54) FLT3MAP3K8CHEK1
SCHEMBL5951667 0.77 MAP3K8 (0.51) FLT3PAK4CDK2MAP3K8FGFR1
SCHEMBL5953085 0.77 FGFR1 (0.51) FLT3PAK4CDK2MAP3K8FGFR1

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 FLT3 161/4885PAK4 186/4885CDK2 12/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A FLT3 176/4885PAK4 268/4885CDK2 13/4885

“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.