SCHEMBL5953022

SCHEMBL5953022

c1ccc2[nH]c(-c3n[nH]c4ccc(-c5cccc6[nH]ncc56)cc34)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 5/20 0.62
FGFR1 P11362 1/20 0.59
FLT1 P17948 1/20 0.59
MAP3K8 P41279 4/20 0.56
CHEK1 O14757 4/20 0.56
CDK4 P11802 7/20 0.54
CCNA2 P20248 7/20 0.54
CCND1 P24385 7/20 0.54
CDK2 P24941 7/20 0.54
CCND3 P30281 7/20 0.54
JAK2 O60674 4/20 0.54
JAK1 P23458 4/20 0.54
TYK2 P29597 4/20 0.54
JAK3 P52333 4/20 0.54
KDR P35968 3/20 0.52
WNT1 P04628 1/20 0.52
TGFBR1 P36897 1/20 0.52
CLK2 P49760 1/20 0.52
CLK3 P49761 1/20 0.52
DYRK1A Q13627 1/20 0.52

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
SCHEMBL5514612 0.85 PDPK1 (0.61) PDPK1FGFR1FLT1MAP3K8CHEK1
SCHEMBL3533024 0.84 PDPK1 (0.73) PDPK1FGFR1FLT1MAP3K8CHEK1
SCHEMBL5514172 0.84 PDPK1 (0.64) PDPK1FGFR1FLT1MAP3K8CHEK1
SCHEMBL5523267 0.84 CDK4 (0.69) PDPK1FGFR1FLT1MAP3K8CHEK1
SCHEMBL5508118 0.82 PDPK1 (0.74) PDPK1FGFR1FLT1MAP3K8CHEK1
SCHEMBL5518740 0.81 CDK4 (0.64) PDPK1FGFR1FLT1MAP3K8CHEK1
SCHEMBL5513117 0.81 MAP3K8 (0.63) PDPK1FGFR1FLT1MAP3K8CHEK1
SCHEMBL15862395 0.80 WNT1 (0.74) PDPK1FGFR1FLT1MAP3K8CHEK1
SCHEMBL5508092 0.80 MAP3K8 (0.64) PDPK1FGFR1FLT1MAP3K8CHEK1
SCHEMBL5508107 0.80 CDK4 (0.60) PDPK1FGFR1FLT1MAP3K8CHEK1

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 PDPK1 291/4885FGFR1 583/4885FLT1 2074/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A PDPK1 216/4885FGFR1 254/4885FLT1 1117/4885

“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.