SCHEMBL2675366

SCHEMBL2675366

O=CC1(c2cccc(Br)c2)CCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.44
ENPP2 Q13822 1/20 0.44
ATXN2 Q99700 1/20 0.44
HDAC1 Q13547 4/20 0.43
HDAC6 Q9UBN7 4/20 0.43
HDAC3 O15379 2/20 0.43
HDAC2 Q92769 2/20 0.43
OPRK1 P41145 2/20 0.43
OPRD1 P41143 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ACACB O00763 1/20 0.42
NOS2 P35228 1/20 0.42
CYP2C19 P33261 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40

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
SCHEMBL2674611 0.91 RORC (0.43) RORCENPP2ATXN2HDAC1HDAC6
SCHEMBL10237611 0.88 RORC (0.44) RORCENPP2ATXN2HDAC1HDAC6
SCHEMBL13689912 0.82 MEN1 (0.56) RORCENPP2ATXN2HDAC1HDAC6
SCHEMBL2919825 0.78 MEN1 (0.48) RORCENPP2ATXN2HDAC1HDAC6
SCHEMBL10236532 0.76 ENPP2 (0.42) RORCENPP2ATXN2HDAC1HDAC6
SCHEMBL10082704 0.74 ENPP2 (0.58) RORCENPP2ATXN2OPRK1OPRD1
SCHEMBL15504877 0.74 MEN1 (0.57) RORCENPP2ATXN2HDAC1HDAC6
SCHEMBL17637631 0.74 MEN1 (0.51) RORCENPP2ATXN2HDAC1HDAC6
SCHEMBL19361026 0.74 MEN1 (0.51) RORCENPP2ATXN2HDAC1HDAC6
SCHEMBL10566099 0.74 MEN1 (0.53) RORCENPP2ATXN2HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367697-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-05 US disclosed
US-8367697-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-05 US disclosed
US-8367697-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-05 US disclosed
EP-2215089-B1 [1H- PYRAZOLO [3, 4-B]PYRIDINE-4-YL]-PHENYLE OR -PYRIDIN-2-YLE DERIVATIVES AS PROTEIN KINASE C-THETA VERTEX PHARMA (US) 2012-06-27 EP disclosed
EP-2215089-B1 [1H- PYRAZOLO [3, 4-B]PYRIDINE-4-YL]-PHENYLE OR -PYRIDIN-2-YLE DERIVATIVES AS PROTEIN KINASE C-THETA VERTEX PHARMA (US) 2012-06-27 EP disclosed
US-20120149680-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-14 US disclosed
US-20120149680-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-14 US disclosed
US-20120149680-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-14 US disclosed
US-8173635-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-08 US disclosed
US-8173635-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-08 US disclosed
US-8173635-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-08 US disclosed
EP-2215089-A1 [1H- PYRAZOLO [3, 4-B]PYRIDINE-4-YL]-PHENYLE OR -PYRIDIN-2-YLE DERIVATIVES AS PROTEIN KINASE C-THETA Vertex Pharmaceuticals Incorporated (US) 2010-08-11 EP disclosed
US-20090291937-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-11-26 US disclosed
US-20090291937-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-11-26 US disclosed
US-20090291937-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-11-26 US disclosed
WO-2009073300-A1 [1H- PYRAZOLO [3, 4-B] PYRIDINE-4-YL] -PHENYLE OR -PYRIDIN-2-YLE DERIVATIVES AS PROTEIN KINASE C-THETA VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-11 WO disclosed
WO-2009073300-A1 [1H- PYRAZOLO [3, 4-B] PYRIDINE-4-YL] -PHENYLE OR -PYRIDIN-2-YLE DERIVATIVES AS PROTEIN KINASE C-THETA VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-11 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-20090291937-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 RORC 1465/4885ENPP2 906/4885ATXN2 1600/4885
US-20120149680-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 RORC 1465/4885ENPP2 906/4885ATXN2 1600/4885

“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.