SCHEMBL1425565

SCHEMBL1425565

CC(C)(C)OC(=O)N1C[C@H]2CC(n3cc(I)cn3)C[C@H]2C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.48
MPO P05164 1/20 0.42
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
JAK1 P23458 2/20 0.39
GPR119 Q8TDV5 4/20 0.38
JAK2 O60674 1/20 0.38
USP30 Q70CQ3 3/20 0.37
PREP P48147 1/20 0.37
KDM4E B2RXH2 1/20 0.35
SPR P35270 1/20 0.35

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
SCHEMBL15273089 1.00 NR1H2 (0.48) NR1H2MPODDB1CRBNJAK1
SCHEMBL27921574 0.93 NR1H2 (0.44) NR1H2MPODDB1CRBNJAK1
SCHEMBL985090 0.90 MPO (0.46) NR1H2MPODDB1CRBNGPR119
SCHEMBL12539010 0.86 NR1H2 (0.49) NR1H2DDB1CRBNJAK1GPR119
SCHEMBL15270991 0.86 MPO (0.40) NR1H2MPODDB1CRBNGPR119
SCHEMBL25710881 0.85 NR1H2 (0.48) NR1H2DDB1CRBNJAK1GPR119
SCHEMBL25710889 0.85 NR1H2 (0.48) NR1H2DDB1CRBNJAK1GPR119
SCHEMBL15273480 0.85 MPO (0.40) NR1H2MPODDB1CRBNGPR119
SCHEMBL16267942 0.83 DDB1 (0.49) MPODDB1CRBNGPR119USP30
SCHEMBL26388949 0.83 DDB1 (0.49) MPODDB1CRBNGPR119USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481524-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-09 US disclosed
US-20110136789-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-09 US disclosed
EP-2205589-B1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2011-03-23 EP 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-20110136789-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 NR1H2 2477/4885MPO 4325/4885DDB1 1210/4885

“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.