SCHEMBL5953630

SCHEMBL5953630

O=C(c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1)N1CCN(C(=O)c2ccco2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 8/20 0.60
CDK1 P06493 1/20 0.53
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KDR P35968 1/20 0.51
KDM4E B2RXH2 1/20 0.51
TP53 P04637 1/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
RECQL P46063 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PARP1 P09874 1/20 0.49
FGFR1 P11362 1/20 0.47
FLT1 P17948 1/20 0.47
FLT3 P36888 1/20 0.47
CDK4 P11802 2/20 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
SCHEMBL5951339 0.86 CHEK1 (0.69) CHEK1CDK1KDRHPGDFGFR1
SCHEMBL5951807 0.86 CHEK1 (0.66) CHEK1CDK1KDRFGFR1FLT1
SCHEMBL5952626 0.86 CHEK1 (0.66) CHEK1CDK1KDRFGFR1FLT1
SCHEMBL5952456 0.86 CHEK1 (0.66) CHEK1CDK1MEN1KMT2AKDR
SCHEMBL5953259 0.79 CHEK1 (0.60) CHEK1CDK1KDRFGFR1FLT1
SCHEMBL1224541 0.79 FLT3 (0.61) CHEK1HPGDFGFR1FLT1FLT3
SCHEMBL13373641 0.78 FGFR1 (0.68) CHEK1MEN1KMT2AKDRFGFR1
SCHEMBL31172237 0.78 PDPK1 (0.61) CHEK1KDRFGFR1FLT1FLT3
SCHEMBL1225812 0.78 PDPK1 (0.61) CHEK1KDRFGFR1FLT1FLT3
SCHEMBL1225652 0.78 FLT3 (0.70) CHEK1MEN1KMT2AFGFR1FLT1

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 286/4885CDK1 36/4885ALDH1A1 1389/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A CHEK1 321/4885CDK1 5/4885ALDH1A1 862/4885

“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.