SCHEMBL5951998

SCHEMBL5951998

CCc1cc2nc(-c3n[nH]c4ccc(C#N)cc34)[nH]c2cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 9/20 0.54
ITK Q08881 3/20 0.47
LRRK2 Q5S007 2/20 0.42
FLT3 P36888 4/20 0.42
FGFR1 P11362 3/20 0.42
CLK4 Q9HAZ1 3/20 0.42
PDPK1 O15530 3/20 0.42
PKN2 Q16513 2/20 0.41
PKN1 Q16512 1/20 0.41
CHEK1 O14757 2/20 0.40
AURKA O14965 2/20 0.40
JAK2 O60674 2/20 0.40
MAP4K4 O95819 2/20 0.40
PAK4 O96013 2/20 0.40
ABL1 P00519 2/20 0.40
LCK P06239 2/20 0.40
RET P07949 2/20 0.40
PRKACA P17612 2/20 0.40
FLT1 P17948 2/20 0.40
KDR P35968 2/20 0.40

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
SCHEMBL5952310 0.89 ITK (0.53) MAP3K8ITKLRRK2FLT3FGFR1
Hydrochloric Acid SCHEMBL5952806 0.88 ITK (0.52) MAP3K8ITKLRRK2FLT3FGFR1
SCHEMBL5952048 0.82 FGFR1 (0.60) MAP3K8ITKLRRK2FLT3FGFR1
SCHEMBL13375118 0.81 MAP2K4 (0.47) MAP3K8ITKFLT3FGFR1CLK4
SCHEMBL5952855 0.81 FGFR1 (0.52) MAP3K8ITKFLT3FGFR1PDPK1
SCHEMBL13373864 0.80 MAP3K8 (0.46) MAP3K8ITKFLT3FGFR1CLK4
SCHEMBL6279152 0.80 MAP3K8 (0.50) MAP3K8ITKLRRK2FLT3FGFR1
SCHEMBL13373947 0.80 CHEK1 (0.54) MAP3K8FLT3CHEK1CHEK2
Hydrochloric Acid SCHEMBL5953379 0.79 CHEK1 (0.53) MAP3K8FLT3CHEK1CHEK2
SCHEMBL1225637 0.78 PDPK1 (0.67) ITKFLT3FGFR1CLK4PDPK1

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 12 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-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 MAP3K8 35/4885ITK 979/4885LRRK2 3267/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A MAP3K8 40/4885ITK 1317/4885LRRK2 3551/4885

“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.