SCHEMBL1372485

SCHEMBL1372485

COc1cnc2c(c1)c(I)cn2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.49
HTR6 P50406 4/20 0.44
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
ALDH3A1 P30838 1/20 0.40
NOD1 Q9Y239 1/20 0.40
PTPN11 Q06124 1/20 0.39
EED O75530 1/20 0.38
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37
CD4 P01730 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL1268099 0.89 BRD4 (0.58) BRD4HTR6L3MBTL1POLBDRD2
SCHEMBL19250316 0.86 BRD4 (0.54) BRD4HTR6HTTLMNAALDH1A1
SCHEMBL12066672 0.83 BRD4 (0.51) BRD4HTR6HTTLMNAALDH1A1
SCHEMBL31150811 0.83 BRD4 (0.51) BRD4HTTLMNAALDH1A1L3MBTL1
SCHEMBL20846089 0.83 BRD4 (0.51) BRD4HTTLMNATSHRL3MBTL1
SCHEMBL721833 0.83 BRD4 (0.51) BRD4HTR6HTTLMNAALDH1A1
SCHEMBL18995268 0.83 BRD4 (0.51) BRD4HTTLMNAALDH1A1L3MBTL1
SCHEMBL721044 0.82 BRD4 (0.51) BRD4ALDH1A1TSHRMAPTPOLB
SCHEMBL30398424 0.81 BRD4 (0.49) BRD4HTR6HTTMAPTL3MBTL1
SCHEMBL20293182 0.81 BRD4 (0.49) BRD4HTR6HTTMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759389-B1 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-24 US disclosed
US-8399478-B2 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-19 US disclosed
EP-2474546-A1 Thiophene-carboxamides useful as inhibitors of protein kinases Vertex Pharmaceuticals Inc. (US) 2012-07-11 EP disclosed
US-20110288095-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-24 US disclosed
US-7915305-B2 To treat autoimmune, inflammatory, proliferative, hyperproliferative,neurodegenerative or immunologically-mediated diseases; useful for the study of kinases in biological and pathological phenomena; study of intracellular signal transduction pathways mediated by such kinases, and comparative evaluation VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-29 US disclosed
US-20070219205-A1 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-09-20 US 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-20070219205-A1 Thiophene-carboxamides useful as inhibitors of protein kinases MAP3K20, ABL1, MAP3K5 BRD4 433/4885HTR6 3079/4885HTT 1040/4885
US-20110288095-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, ABL1, MAP3K5 BRD4 433/4885HTR6 3079/4885HTT 1040/4885

“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.