SCHEMBL4413076

SCHEMBL4413076

CC[C@@H](CO)Nc1nccc(-c2c(C)[nH]c(C(=O)O)c2C)n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 11/20 0.48
CDK2 P24941 11/20 0.48
EIF2AK2 P19525 4/20 0.48
JAK2 O60674 1/20 0.39
FLT3 P36888 1/20 0.39
SYK P43405 1/20 0.39
MAPK1 P28482 1/20 0.39
DYRK1A Q13627 2/20 0.37
DYRK1B Q9Y463 2/20 0.37
DYRK2 Q92630 1/20 0.37
DHODH Q02127 1/20 0.36

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
SCHEMBL4413081 1.00 CDK4 (0.48) CDK4CDK2EIF2AK2JAK2FLT3
SCHEMBL14011298 0.89 EIF2AK2 (0.48) CDK4CDK2EIF2AK2JAK2FLT3
SCHEMBL4425029 0.89 EIF2AK2 (0.46) CDK4CDK2EIF2AK2JAK2FLT3
SCHEMBL4425032 0.89 EIF2AK2 (0.46) CDK4CDK2EIF2AK2JAK2FLT3
SCHEMBL8317782 0.87 EIF2AK2 (0.45) CDK4CDK2EIF2AK2JAK2FLT3
SCHEMBL4420428 0.85 CDK4 (0.53) CDK4CDK2EIF2AK2
SCHEMBL14011247 0.79 MAPK1 (0.43) CDK4CDK2EIF2AK2MAPK1
SCHEMBL4424686 0.76 CDK4 (0.48) CDK4CDK2EIF2AK2
SCHEMBL8316804 0.70 CDK4 (0.59) CDK4CDK2EIF2AK2JAK2
SCHEMBL8318732 0.69 MAPK1 (0.52) CDK4CDK2EIF2AK2MAPK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606284-B1 COMPOSITIONS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2009-12-02 EP disclosed
US-7456190-B2 Compositions useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-25 US disclosed
US-7456190-B2 Compositions useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-25 US disclosed
US-7456190-B2 Compositions useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-25 US disclosed
EP-1606284-A1 COMPOSITIONS USEFUL AS PROTEIN KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2005-12-21 EP disclosed
US-20040220200-A1 Compositions useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2004-11-04 US disclosed
WO-2004083203-A1 COMPOSITIONS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-09-30 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 (1 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-20040220200-A1 Compositions useful as protein kinase inhibitors PRKCH, MAP3K20, PACSIN2 CDK4 380/4885CDK2 106/4885EIF2AK2 557/4885

“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.