SCHEMBL4420428

SCHEMBL4420428

Cc1[nH]c(C(=O)O)c(C)c1-c1ccnc(NC(C)C)n1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 8/20 0.53
CDK2 P24941 8/20 0.53
EIF2AK2 P19525 6/20 0.47
MAPK8 P45983 3/20 0.44
MAPK9 P45984 3/20 0.38
MAPK10 P53779 3/20 0.38
PDE4B Q07343 1/20 0.38
PDE10A Q9Y233 1/20 0.38
IDH1 O75874 1/20 0.37
HRH4 Q9H3N8 1/20 0.37

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
SCHEMBL4413076 0.85 CDK4 (0.48) CDK4CDK2EIF2AK2
SCHEMBL4413081 0.85 CDK4 (0.48) CDK4CDK2EIF2AK2
SCHEMBL4424686 0.85 CDK4 (0.48) CDK4CDK2EIF2AK2MAPK8
SCHEMBL8318732 0.75 MAPK1 (0.52) CDK4CDK2EIF2AK2
SCHEMBL14011246 0.75 MAPK1 (0.45) CDK4CDK2EIF2AK2IDH1
SCHEMBL4425029 0.74 EIF2AK2 (0.46) CDK4CDK2EIF2AK2
SCHEMBL4425032 0.74 EIF2AK2 (0.46) CDK4CDK2EIF2AK2
SCHEMBL8317782 0.72 EIF2AK2 (0.45) CDK4CDK2EIF2AK2
SCHEMBL8325329 0.71 CDK4 (0.50) CDK4CDK2EIF2AK2MAPK9
SCHEMBL8316804 0.70 CDK4 (0.59) CDK4CDK2EIF2AK2

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.