SCHEMBL2958409

SCHEMBL2958409

CCOC(=O)CCC1(O)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GPR4 P46093 1/20 0.36
ADORA1 P30542 1/20 0.36
ALDH1A1 P00352 3/20 0.35
NR1H2 P55055 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALOX15 P16050 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RAB9A P51151 1/20 0.34
DDB1 Q16531 1/20 0.33

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
SCHEMBL4689282 0.86 USP2 (0.41) USP2SMN1; SMN2TSHRLMNAPOLB
SCHEMBL18497293 0.85 KMT2A (0.39) USP2SMN1; SMN2TSHRLMNAL3MBTL1
SCHEMBL7095094 0.85 GPR4 (0.40) USP2SMN1; SMN2TSHRLMNAPOLB
SCHEMBL19008242 0.82 USP2 (0.42) USP2SMN1; SMN2GPR4NR1H2HPGD
SCHEMBL5062067 0.80 TSHR (0.41) SMN1; SMN2TSHRLMNAPOLBL3MBTL1
SCHEMBL571327 0.79 NR1H2 (0.44) USP2SMN1; SMN2ALDH1A1NR1H2HPGD
SCHEMBL2286177 0.78 USP2 (0.44) USP2SMN1; SMN2GPR4NR1H2HPGD
SCHEMBL3314428 0.78 SMN1; SMN2 (0.41) USP2SMN1; SMN2TSHRLMNAL3MBTL1
SCHEMBL26635835 0.78 USP2 (0.41) USP2SMN1; SMN2TSHRLMNAPOLB
SCHEMBL24906856 0.78 KMT2A (0.40) USP2SMN1; SMN2TSHRLMNAL3MBTL1

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 12 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
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
EP-1954277-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS Vertex Pharmceuticals Incorporated (US) 2008-08-13 EP 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
WO-2007056221-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-18 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-20100310675-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS ABL1, PRKDC, MAP3K5 USP2 2893/4885SMN1; SMN2 2138/4885TSHR 4651/4885
US-20070259869-A1 Aminopyrimidines useful as kinase inhibitors ABL1, PRKDC, MAP3K5 USP2 2893/4885SMN1; SMN2 2138/4885TSHR 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.