SCHEMBL5951869

SCHEMBL5951869

COc1ccc(-c2ccc3[nH]c(-c4n[nH]c5ccccc45)nc3c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.60
FLT1 P17948 2/20 0.60
CHEK1 O14757 4/20 0.57
ITK Q08881 4/20 0.56
KDM4E B2RXH2 2/20 0.55
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 1/20 0.55
PKM P14618 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PDPK1 O15530 6/20 0.54
GAPDH P04406 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
CDK2 P24941 7/20 0.53
CDK4 P11802 6/20 0.53
CCNA2 P20248 6/20 0.53
CCND1 P24385 6/20 0.53
CCND3 P30281 6/20 0.53
JAK2 O60674 3/20 0.53

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
SCHEMBL5952893 0.91 FGFR1 (0.57) FGFR1FLT1CHEK1ITKKDM4E
SCHEMBL5515428 0.91 PDPK1 (0.66) FGFR1FLT1CHEK1KDM4ENPC1
SCHEMBL4919287 0.90 FGFR1 (0.66) FGFR1FLT1CHEK1ITKKDM4E
SCHEMBL5953064 0.88 FGFR1 (0.69) FGFR1FLT1CHEK1ITKKDM4E
SCHEMBL5951323 0.87 FGFR1 (0.64) FGFR1FLT1CHEK1ITKPDPK1
SCHEMBL5952244 0.84 FGFR1 (0.64) FGFR1FLT1CHEK1ITKPDPK1
SCHEMBL5952586 0.84 ITK (0.69) FGFR1FLT1CHEK1ITKPDPK1
SCHEMBL5952843 0.84 CDK2 (0.64) FGFR1FLT1CHEK1ITKPDPK1
SCHEMBL3538044 0.83 ITK (0.67) FGFR1FLT1CHEK1ITKKDM4E
SCHEMBL5517944 0.82 PDPK1 (0.67) FGFR1FLT1CHEK1KDM4ENPC1

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 8 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-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US claimed
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 FGFR1 583/4885FLT1 2074/4885CHEK1 286/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A FGFR1 254/4885FLT1 1117/4885CHEK1 321/4885

“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.