SCHEMBL5951807

SCHEMBL5951807

CN1CCN(C(=O)c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 8/20 0.66
FGFR1 P11362 4/20 0.58
KDR P35968 2/20 0.58
PDGFRB P09619 1/20 0.58
CDK1 P06493 1/20 0.57
FLT1 P17948 3/20 0.56
HRH4 Q9H3N8 1/20 0.55
PDPK1 O15530 1/20 0.54
CDK2 P24941 4/20 0.53
PRKCZ Q05513 3/20 0.53
CDK4 P11802 2/20 0.51
CCNA2 P20248 2/20 0.51
CCND1 P24385 2/20 0.51
CCND3 P30281 2/20 0.51
JAK2 O60674 1/20 0.51
JAK1 P23458 1/20 0.51
TYK2 P29597 1/20 0.51
JAK3 P52333 1/20 0.51

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
SCHEMBL1225812 0.92 PDPK1 (0.61) CHEK1FGFR1KDRPDGFRBFLT1
SCHEMBL31172237 0.92 PDPK1 (0.61) CHEK1FGFR1KDRPDGFRBFLT1
SCHEMBL5952626 0.92 CHEK1 (0.66) CHEK1FGFR1KDRPDGFRBCDK1
SCHEMBL5951339 0.91 CHEK1 (0.69) CHEK1FGFR1KDRCDK1FLT1
SCHEMBL5952108 0.90 FGFR1 (0.58) CHEK1FGFR1KDRPDGFRBFLT1
SCHEMBL1225928 0.89 PDPK1 (0.57) CHEK1FGFR1KDRPDGFRBFLT1
SCHEMBL5952456 0.88 CHEK1 (0.66) CHEK1FGFR1KDRCDK1FLT1
SCHEMBL5953630 0.86 CHEK1 (0.60) CHEK1FGFR1KDRCDK1FLT1
SCHEMBL12369787 0.84 HRH4 (0.53) CHEK1FGFR1KDRPDGFRBCDK1
SCHEMBL5953259 0.83 CHEK1 (0.60) CHEK1FGFR1KDRCDK1FLT1

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
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-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 CHEK1 286/4885FGFR1 583/4885KDR 2231/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A CHEK1 321/4885FGFR1 254/4885KDR 2609/4885

“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.