SCHEMBL5952280

SCHEMBL5952280

COc1ccc2[nH]nc(-c3nc4cc(C)c(C)cc4[nH]3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 3/20 0.58
FGFR1 P11362 5/20 0.58
ABL1 P00519 3/20 0.55
FLT3 P36888 4/20 0.52
MAP3K8 P41279 1/20 0.52
PDPK1 O15530 2/20 0.51
ITK Q08881 1/20 0.48
CLK4 Q9HAZ1 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
CHEK1 O14757 1/20 0.47

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
SCHEMBL5952007 0.90 AMY1A (0.58) AMY1AFGFR1ABL1FLT3PDPK1
SCHEMBL5952855 0.88 FGFR1 (0.52) AMY1AFGFR1ABL1FLT3MAP3K8
SCHEMBL5952152 0.86 TTK (0.58) FGFR1MAP3K8
SCHEMBL5952153 0.84 ITK (0.55) FGFR1ABL1FLT3MAP3K8PDPK1
SCHEMBL4919287 0.82 FGFR1 (0.66) FGFR1ABL1FLT3PDPK1ITK
SCHEMBL5951667 0.82 MAP3K8 (0.51) AMY1AFGFR1ABL1FLT3MAP3K8
SCHEMBL5953085 0.82 FGFR1 (0.51) AMY1AFGFR1ABL1FLT3MAP3K8
SCHEMBL5952142 0.82 ITK (0.62) AMY1AFGFR1ABL1FLT3MAP3K8
SCHEMBL6283108 0.81 FGFR1 (0.50) FGFR1ABL1FLT3MAP3K8PDPK1
SCHEMBL4912661 0.80 FGFR1 (0.70) FGFR1ABL1FLT3PDPK1ITK

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-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
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US 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 AMY1A 4001/4885FGFR1 583/4885ABL1 55/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A AMY1A 2362/4885FGFR1 254/4885ABL1 63/4885

“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.