SCHEMBL5953214

SCHEMBL5953214

Cc1cc2nc(-c3n[nH]c4cc(F)ccc34)[nH]c2cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 6/20 0.53
ITK Q08881 5/20 0.53
FGFR1 P11362 4/20 0.52
KDR P35968 4/20 0.52
FLT1 P17948 3/20 0.52
MAP2K4 P45985 2/20 0.51
GUSB P08236 2/20 0.50
CDK2 P24941 4/20 0.49
CDK4 P11802 3/20 0.49
CCNA2 P20248 3/20 0.49
CCND1 P24385 3/20 0.49
CCND3 P30281 3/20 0.49
FLT3 P36888 2/20 0.46
PLK4 O00444 1/20 0.46
AURKA O14965 1/20 0.46
CHUK O15111 1/20 0.46
PDPK1 O15530 1/20 0.46
JAK2 O60674 1/20 0.46
ROCK2 O75116 1/20 0.46
MAP4K4 O95819 1/20 0.46

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
SCHEMBL5953085 0.89 FGFR1 (0.51) CHEK1ITKFGFR1KDRFLT1
SCHEMBL3543632 0.82 FGFR1 (0.71) CHEK1ITKFGFR1KDRFLT1
SCHEMBL4912661 0.82 FGFR1 (0.70) CHEK1ITKFGFR1KDRFLT1
SCHEMBL5952007 0.82 AMY1A (0.58) CHEK1ITKFGFR1KDRCDK2
SCHEMBL3598153 0.79 ALDH1A1 (0.57) CHEK1ITKFGFR1KDRFLT1
SCHEMBL5952153 0.78 ITK (0.55) CHEK1ITKFGFR1KDRFLT1
SCHEMBL31172403 0.78 CHEK1 (0.70) CHEK1FGFR1KDRFLT1MAP2K4
SCHEMBL3537973 0.77 PDPK1 (0.51) ITKFGFR1FLT1MAP2K4FLT3
SCHEMBL31172354 0.77 CHEK1 (0.68) CHEK1FGFR1FLT1MAP2K4CDK2
SCHEMBL5951667 0.76 MAP3K8 (0.51) CHEK1ITKFGFR1KDRFLT1

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 11 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-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 286/4885ITK 979/4885FGFR1 583/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A CHEK1 321/4885ITK 1317/4885FGFR1 254/4885

“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.