SCHEMBL2961220

SCHEMBL2961220

CCOC(=O)Cc1cc(=O)[nH]c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 1.00
L3MBTL1 Q9Y468 3/20 0.55
TSHR P16473 2/20 0.55
HSD17B10 Q99714 2/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
MAPT P10636 2/20 0.51
HCAR2 Q8TDS4 1/20 0.47
GPR84 Q9NQS5 2/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 1/20 0.44
RECQL P46063 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
AKT1 P31749 1/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
USP2 O75604 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL14123250 0.83 SMN1; SMN2 (0.71) SMN1; SMN2L3MBTL1TSHRHSD17B10CASP1
SCHEMBL10289408 0.79 SMN1; SMN2 (0.66) SMN1; SMN2L3MBTL1MAPTHCAR2KMT2A
SCHEMBL17991895 0.76 SMN1; SMN2 (0.61) SMN1; SMN2L3MBTL1TSHRHSD17B10CASP1
SCHEMBL2108830 0.74 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1TSHRHSD17B10CASP1
SCHEMBL10854646 0.74 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1TSHRHSD17B10CASP1
SCHEMBL27412882 0.73 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1TSHRHSD17B10MAPT
SCHEMBL20599921 0.73 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1TSHRHSD17B10CASP1
SCHEMBL18134883 0.73 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1TSHRHSD17B10CASP1
SCHEMBL13883155 0.73 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1TSHRHSD17B10CASP1
SCHEMBL917082 0.72 GPR84 (0.68) SMN1; SMN2L3MBTL1HSD17B10MAPTGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954277-B1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMA (US) 2017-01-18 EP disclosed
US-8637511-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-28 US disclosed
US-8637511-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-28 US disclosed
US-20100310675-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-09 US disclosed
US-20100310675-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-09 US disclosed
US-7767672-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-03 US disclosed
US-7767672-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-03 US disclosed
US-20070259869-A1 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-08 US disclosed
US-20070259869-A1 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-08 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-20100310675-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS ABL1, PRKDC, MAP3K5 SMN1; SMN2 2138/4885L3MBTL1 3272/4885TSHR 4651/4885
US-20070259869-A1 Aminopyrimidines useful as kinase inhibitors ABL1, PRKDC, MAP3K5 SMN1; SMN2 2138/4885L3MBTL1 3272/4885TSHR 4651/4885

“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.